[gmx-users] Continuation of Serial MD simulation in Parallel
Dallas B. Warren
Dallas.Warren at vcp.monash.edu.au
Mon Jul 3 09:49:33 CEST 2006
>So I am generating .tpr file as follows using the command as follows.
Does the log message (Highlighted in RED)
>"Velocities generated: ignoring velocities in input trajectory", means
that the simulation wont be continuation
>of the earlier one?
That warning tells you that in your .mdp file you have velocity
generation on, turn that option off. You don't want that if you want a
continuation of the run. The velocity of the atoms is taken from the
.trr file that you feed to grompp.
Dr. Dallas Warren
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9524
When the only tool you own is a hammer, every problem begins to resemble
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