[gmx-users] Potential modification

[Christoph Junghans]

2015-03-20 5:00 GMT-06:00  <gromacs.org_gmx-users-request at maillist.sys.kth.se>:
> Message: 1
> Date: Fri, 20 Mar 2015 10:26:26 +0530
> From: Tuhin Samanta <samantatuhin1991 at gmail.com>
> To: gmx-users at gromacs.org, Justin Lemkul <jalemkul at vt.edu>
> Subject: [gmx-users] Potential modification
> Message-ID:
>         <CABg7K0uXj-EyL5Z=m396uuBevQDtCp7U8aYqmENBr6nJ8O-piA at mail.gmail.com>
> Content-Type: text/plain; charset=UTF-8
>
> Dear,
> I want to incorporate one potential form in gromacs. Can you please tell me
> how is it possible here or what is the procedure for that........please
> suggest me......
I think the easiest would be to create a table, see the "Tabulated
interaction functions" section (6.10) of the manual.

Christoph

>
>
> Thanks,
> Tuhin
>
>
> ------------------------------
>

-- 
Christoph Junghans
Web: http://www.compphys.de