[gmx-users] monitor the size of the computational box
igaldadas at gmail.com
Mon Jul 6 17:16:00 CEST 2015
I would like to ask what is the best way to monitor the size of the
computational box (i.e. the volume)
during a simulation. I know that it must stay constant during the
simulation but, in my case, it seems that it doesn't.
There is an error poping up when I try to use the gmx hbond tool,
specifically "Your computational box has shrunk too much",
and I've read that it is reccomended to plot the box volume as a function
of time. How can I do this?
Thanking you in advance,
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