[gmx-users] Stop the simulation after a particular condition is fulfilled

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jun 18 02:18:39 CEST 2009

animesh agarwal wrote:
> hello,
>         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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