[gmx-users] reg plumed gromacs
scvsankar_agr at yahoo.com
Fri Oct 14 16:26:01 CEST 2011
Dear justin, thank you for your previous reply
I am new user of plumed gromacs i am using the following file to do meta dynamics by taking ELSTPOT as CV . i have used the following files as plumed.dat file withe RESTART key word . But when i restart by actual procedure of Gromacs MD i have got the follwing error
Reading checkpoint file state.cpt generated: Thu Oct 13 23:07:42 2011
current program: -1
checkpoint file: 0
Gromacs binary or parallel settings not identical to previous run.
Continuation is exact, but is not guaranteed to be binary identical.
IS it error or not ?. What should i do to avoid this information ?
But still Gromacs MD is running continously i am getting output with updated output(COLVAR, HILL) . i am expectiong your valuable reply
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