Execution Time0.01s

Test: XDRF2PDB-M-three (Passed)
Build: Linux-gfortan-MPI GAB (dell15) on 2024-10-30 03:05:07

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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  -26.9...
The rest of the test output was removed since it exceeds the threshold of 1024 bytes.