[gmx-users] Is there a tool for calculating mechanical properties of materials using GROMACS

Mark Abraham mark.j.abraham at gmail.com
Thu Apr 17 09:06:40 CEST 2014


Not as such, but so long as there is a common trajectory format, there's
usually no great barrier to doing a simulation with one tool and analyzing
it with any other.

Mark

On Thu, Apr 17, 2014 at 3:33 AM, xiaowu759 <xiaowu759 at gmail.com> wrote:

> Dear GMXers,
> I try to calculate mechanical properties of materials using GROMACS. By
> looking through the manual, I can not find any related information. To save
> time, I wonder if there is an existing script or tool for performing such
> calculations or analyses (as in LAMMPS). Thanks a lot for any reply.
> Yours sincerely,
> Chaofu Wu
>
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