[gmx-users] Question about GROMACS

Mark Abraham mark.j.abraham at gmail.com
Tue Feb 16 12:27:29 CET 2016


Hi,

Yes, the deform .mdp option is intended to do these kinds of things, but I
don't think there is more documentation than you can see here
http://manual.gromacs.org/documentation/5.1.2/user-guide/mdp-options.html#non-equilibrium-md,
so look for a publication that reports using it.

Mark

On Tue, Feb 16, 2016 at 10:58 AM <khourshaeishargh at mech.sharif.ir> wrote:

>
>  Dear All
>
> I have a quick question about GROMACS. Is there any chance to exert
> different types of loading such as torsional or bending or linear tension
> loading on simulation box in GROMACS ?
>
> Best wishes
>
> Ali khourshaei shargh (khourshaeishargh at mech.sharif.edu)
> Department of Mechanical Engineering
> Sharif University of Technology, Tehran, Iran
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