Re: [AMBER] Amber force field for Benzene sulfonamide.

From: FyD <>
Date: Fri, 26 Jul 2013 10:40:30 +0200


You might be interested in running R.E.D. Server; see:

We can also post-process R.E.D. IV output with R.E.D. Python (our new
code version; not yet available) to generate atom types and frcmod
file(s). Just request a private assistance from the R.E.D. Server web

regards, Francois

> I am interested in molecular dynamics simulation with small molecule and
> protein to explore selectivity mechanism. But unfortunately I have
> encountered some problem and I need help.
> 1). The ligand I am using, contains Benzene sulfonamide group.
> 2). I found that Amber force field parameters for this particular group are
> missing.
> 3). I tried to use prmcheck in order to use default force field but the
> results were not satisfactory.
> 4). During my search on google I got prmtop file at the following link (
> I don't know how to
> transfer these parameters to forcmod.
> So I need help to get the force field file for this group (Benzene
> sulfonamide). I will be grateful for this favor.

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Received on Fri Jul 26 2013 - 02:00:05 PDT
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