[gmx-users] Potential Energy Scan

Mark Abraham mark.j.abraham at gmail.com
Thu Aug 1 13:37:39 CEST 2013


http://www.gromacs.org/Documentation/How-tos/Single-Point_Energy

On Thu, Aug 1, 2013 at 7:03 AM, tarak karmakar <tarak20489 at gmail.com> wrote:
> Dear All,
>
> Can anyone guide me how to perform the 'potential energy scan' for a
> dihedral of a small molecule in gromacs?
>
> Regrads,
> Tarak
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