[gmx-users] Change restraints during md

[Mark Abraham]

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 
though.

Mark