[gmx-users] checkpoint

jayant james jayant.james at gmail.com
Thu Feb 12 22:36:31 CET 2009

I recently installed GROMACS 4.0 and in the md.log file (pasted below) I
found the "writing check point........" statement.  This was not there in
the previous versions of GROMACS. Is this to be expected or is this an
indication that some thing is going wrong?
Writing checkpoint, step 58060 at Thu Feb 12 09:09:31 2009

Writing checkpoint, step 59140 at Thu Feb 12 09:24:32 2009

           Step           Time         Lambda
          60000       60.00000        0.00000

Writing checkpoint, step 60000 at Thu Feb 12 09:36:31 2009

   Energies (kJ/mol)
        G96Bond       G96Angle    Proper Dih.  Improper Dih.          LJ-14
    5.97995e+03    7.39308e+03    3.31574e+03    2.12446e+03    1.21354e+03
"md.log" 634L, 23758C                                        550,0-1

Jayasundar Jayant James

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