[gmx-users] Stop the simulation after a particular condition is fulfilled
Mark.Abraham at anu.edu.au
Thu Jun 18 02:18:39 CEST 2009
animesh agarwal wrote:
> I want to stop my simulation in between after the density of
> system reaches 300kg/m3. Is there any possible way of doing this?
Not in an automated fashion. Obviously, you will have to look (manually
with g_energy) at a post-equilibration time-averaged density, not an
instantaneous one or one over the whole simulation.
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