[gmx-users] Relaxation Test

khourshaeishargh at mech.sharif.ir khourshaeishargh at mech.sharif.ir
Thu May 26 20:49:13 CEST 2016

Dear GROMACS user
During the last 3 weeks, I confront with a really though problem  through
my M.Sc thesis. I don't now if you are familiar with Relaxation test in
Mechanical Engineering or not, simply It is a test In which we exert a
constant strain to a simulation box and monitor its Stress changes versus
time. so my question is: how can I exert constant strain to a simulation
box ?! from bottom of my heart I implore you not to say : use NEMD option.
If I should use NEMD in .mdp file option, please give me the explicit
changes in my .mdp file. suppose that I want to give a stepwise strain
with amplitude of 5 percentage through X-direction.
I really appreciate it, If anyone could help me please, also If it's not
possible please tell me.

best  regards, Ali


Ali khourshaei shargh (khourshaeishargh at mech.sharif.ir)

Department of Mechanical Engineering

Sharif University of Technology, Tehran, Iran

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