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

Atila Petrosian atila.petrosian at gmail.com
Wed Oct 9 15:09:34 CEST 2013


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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