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