[gmx-users] itp file for aminoacids

[R C Dash]

use https://atb.uq.edu.au/index.py /
http://davapc1.bioch.dundee.ac.uk/cgi-bin/prodrg / or http://swissparam.ch/
or http://vienna-ptm.univie.ac.at/  for .itp file
All amino acids are identified bybby AMBER force field. If you there is
some modification like methylated lysine you have to creat a lib file and
use it in tleap AMBERTools.

On Mon, Oct 30, 2017 at 10:48 AM, Tasneem Kausar <tasneemkausar12 at gmail.com>
wrote:

> You only need a pdb file for amino acids/proteins. pdb2gmx in gromacs does
> the job of making itp.
>
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> On Mon, Oct 30, 2017 at 8:11 PM, rose rahmani <rose.rhmn93 at gmail.com>
> wrote:
>
> > hello
> >
> > how can i make an .itp file for amino acids?
> > which amino acids is identified in AMBER forcefield?
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