Execution Time0.01s

Test: XDRF2PDB-M-three (Passed)
Build: Linux-ifort-noMPI E0LL2Y (dell15) on 2024-11-02 03:08:43

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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   2000.000      iret           1
 potE  -26.88221      uconst  0.0000000E+00  t_bath   2.000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.000      iret           1
 potE  -26.86605      uconst  0.0000000E+00  t_bath   2.000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.000      iret           1
 potE  -26.84138      uconst  0.0000000E+00  t_bath   2.000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.000      iret           1
 potE  -26.84607      uconst  0.0000000E+00  t_bath   2.000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.000      iret           1
 potE  -26.90870      uconst  0.0000000E+00  t...
The rest of the test output was removed since it exceeds the threshold of 1024 bytes.