[gmx-users] time evaluation of dimensions of the simulation cell

Baptiste Demoulin bat.demoulin at gmail.com
Wed Oct 9 16:12:28 CEST 2013


you can use g_energy, and then select X-box and Y-box in the prompt.



2013/10/9 Atila Petrosian <atila.petrosian at gmail.com>

> Dear gromacs usres
> I am doing simulation of lipid bilayer.
> I did 2 steps: 1) energy minimization, 2) equilibration.
> Before production run, I want to monitor dimensions of the simulation cell
> to test the stability of the simulation.
> On the other hands, I want to plot dimensions of the simulation cell as a
> function of time.
> What tool of gromacs is appropriate for obtaining time evaluation of
> dimensions of the simulation cell? How to do this?
> Any help will highly appreciated.
> Best wishes.
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