[gmx-users] how to set up a rigid system

Justin A. Lemkul jalemkul at vt.edu
Tue Oct 28 02:37:17 CET 2008

Jinyao Wang wrote:
> Dear GMX users,
> I am carrying out MD for a rigid system by Gromacs.But I couldnot know how to set up this rigid system.
> If you could give me some advice or some material, I will appreciate it.

You might try reading in the manual about restraints (position, distance, 
dihedral) and/or freezegrps (.mdp option).  Without a better description of your 
system, there's not much else I can guess that would help you.


>         Jinyao Wang
>         wangjy at ciac.jl.cn
>           2008-10-28
> ------------------------------------------------------------------------
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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