[gmx-users] Turning OFF/ON distance restraints during a simulation

Mark Abraham Mark.Abraham at anu.edu.au
Fri Apr 29 01:51:36 CEST 2011

On 4/29/2011 9:09 AM, jayant james wrote:
> Hi all,
> Is it possible to turn OFF/ON distance restraints after simulating a 
> system for a certain period of time? If yes, how do I command GMX to 
> do such a job?

You can do this only by stopping the simulation and re-invoking grompp 
with the changed conditions.


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