Hi!
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?
Thanks
JJ
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
87%
--
Jayasundar Jayant James
www.chick.com/reading/tracts/0096/0096_01.asp)
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