[gmx-users] Change restraints during md

Mark Abraham 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 
> restraints.
> 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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