Execution Time0.02s

Test: XDRF2PDB-M-three (Passed)
Build: Linux-gfortan-MPI GAB (m10) on 2023-05-22 03:07:11
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6

Processors[Graph]1

Show Command Line
Show Test Time Graph
Show Failing/Passing Graph

Test output
          22
D   ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO
SER D  
 nnt           2  nct          21
 time   2000.00000      iret           1
 potE  -26.8822079      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8660469      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8413792      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8460674      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.9086971      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8447552      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8807735      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.9141369      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.9120579      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8941822      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8852272      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8408527      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8995476      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.9373684      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8485813      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8819637      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8526821      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8835888      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.9106159      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.9121571      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8875675      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.9477291      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8807106      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8750801      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8810940      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8630180      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8482609      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8735218      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8882084      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8396530      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8860054      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.00000      iret           1
 potE  -26.8835926      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1968632      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -26.8773289      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1947861      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1929607      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1984329      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1965313      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -26.9413891      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1951828      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1959076      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1949730      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1974411      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1965313      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1936836      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -26.9177361      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1958408      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1944294      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1983433      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -26.8786449      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -26.9873962      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1959019      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -26.8611984      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -26.9017296      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -26.8770580      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1986942      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1937771      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1977825      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1939583      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1966419      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1958160      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -26.9689732      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -27.1988640      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   4000.00000      iret           1
 potE  -26.9374352      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1990509      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -26.8877506      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1967411      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1978607      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1998272      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1993999      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -26.9445724      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1966419      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1981621      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1977749      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1996422      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1985092      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1962891      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -26.9499264      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1992130      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1965847      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1999722      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.2267876      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.2814732      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1976070      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.2242813      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -26.9105873      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.2258415      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.2003632      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1964455      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1995258      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1962795      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1988087      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.1986198      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.2181644      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -27.2010670      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   6000.00000      iret           1
 potE  -26.8928089      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2004128      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2449989      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.1982689      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2001743      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2010918      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2011356      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2384796      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.1980038      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.1995697      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.1996574      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2011185      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.1999741      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.1981239      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2714233      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2011929      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.1980057      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2012482      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2276325      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2824421      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.1990376      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2252674      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.3144684      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2267017      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2016029      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.1980286      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2008743      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.1979027      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2003212      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2002316      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2195663      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -27.2022991      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   8000.00000      iret           1
 potE  -26.9458637      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2016506      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2471409      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.1996498      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2018013      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2023087      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2025433      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2401257      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.1993046      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2008362      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2011833      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2024078      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2013073      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.1996174      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2732735      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2027245      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.1993008      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2024498      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2283192      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2833080      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2003498      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2259846      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.3162231      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2273846      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2027817      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.1993904      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2021198      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.1993256      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2016830      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2016144      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2205906      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.2034588      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   10000.0000      iret           1
 potE  -27.1028385      uconst   0.00000000      t_bath   2.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2028351      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2486420      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2009449      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2031517      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2034855      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2037945      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2409821      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2005596      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2020416      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2025204      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2036095      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2025681      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2009411      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2749252      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2040443      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2005424      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2036076      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2289886      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2841606      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2015915      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2266712      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.3174362      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2280540      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2039223      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2006607      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2033081      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2006435      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2029552      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2028828      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2214622      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.2045841      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   12000.0000      iret           1
 potE  -27.3843403      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2039795      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2498417      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2021790      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2043629      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2046242      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2049561      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2417297      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2017708      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2032032      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2037506      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2047539      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2037735      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2021713      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2765579      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2052479      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2017441      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2047272      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2296505      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2850037      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2027836      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2273502      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.3186474      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2287178      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2050285      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2018757      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2044506      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2018929      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2041645      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2040749      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2222557      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.2056789      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   14000.0000      iret           1
 potE  -27.3870258      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2050877      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2508926      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2033653      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2054958      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2057304      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2060604      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2424526      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2029476      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2043304      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2049103      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2058563      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2049332      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2033424      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2781982      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2063789      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2029114      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2058163      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2303066      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2858391      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2039337      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2280197      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.3198853      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2293758      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2061062      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2030468      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2055569      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2030926      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2053261      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2052155      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2230091      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.2067432      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   16000.0000      iret           1
 potE  -27.3891869      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2061672      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2518730      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2045116      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2065792      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2068043      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2071247      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2431698      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2040882      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2054253      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2060223      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2069225      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2060547      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2044716      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2798576      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2074585      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2040462      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2068748      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2309608      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2866707      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2050495      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2286854      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.3211517      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2300320      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2071533      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2041817      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2066307      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2042484      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2064438      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2063141      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2237377      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.2077808      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   18000.0000      iret           1
 potE  -27.3912640      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2072163      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2528248      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2056217      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2076225      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2078495      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2081566      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2438908      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2051964      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2064915      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2070961      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2079601      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2071381      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2055664      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2815456      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2084999      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2051487      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2079048      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2316093      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2874966      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2061329      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2293472      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.3224506      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2306843      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2081757      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2052841      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2076759      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2053661      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2075233      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2073784      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2244492      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.2087917      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           1
 potE  -27.3933010      uconst   0.00000000      t_bath   0.00000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   20000.0000      iret           0