[gmx-users] How to use LENNARD JONES 9-6 potential form in GROMACS

Justin Lemkul jalemkul at vt.edu
Wed Feb 28 14:03:35 CET 2018

On 2/28/18 12:15 AM, sanjeet kumar singh ch16d012 wrote:
> Hello List,
>           Can anyone tell me regarding how can i use Lennard Jones 9-6
> potential form in GROMACS.

You can use a tabulated potential.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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