[gmx-users] How to get the density change along one direction?

Mark Abraham mark.j.abraham at gmail.com
Tue May 21 17:12:55 CEST 2013

The energy files contain the box vectors when that is not constant, so
g_energy will be your friend.


On Tue, May 21, 2013 at 4:11 PM, Bao Kai <paeanball at gmail.com> wrote:

> Hi, all,
> I performed some NPT simulations.  I want to plot the density change,
> for one single time step or averaged over time, along some direction,
> such as x direction or y direction.
> I wonder how I can do that with the output files.
> It will be much better if it can be done separately for a certain
> component.
> Thank you very much.
> Best Regards,
> Kai
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