[gmx-users] Change restraints during md
Mark.Abraham at anu.edu.au
Tue Feb 28 16:07:33 CET 2006
Michal Kolinski wrote:
> Thank you for your advice.
> Yes, I thought about making series of runs with different forces for
> I wonder if restarting from trr files gives me perfect continuation for
> the runs.
Either grompp or tpbconv are capable of doing exact restarts - you will
need to supply the previous .trr AND .edr files for exact restarts - see
the documentation. Only grompp would be useful for the stepwise approach
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