[gmx-users] Relaxation Test

[khourshaeishargh at mech.sharif.ir]

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

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

Department of Mechanical Engineering

Sharif University of Technology, Tehran, Iran