[gmx-users] itp file for aminoacids

[rose rahmani]

if it is included,so why AMBER doesnt identify amino acids like THR?
error is such 'X' residuetype is not found in residue topology database?!!!!
i dont know what is the problem?

thanks for your attention

On Mon, Oct 30, 2017 at 6:25 PM, R C Dash <rcdash0910 at gmail.com> wrote:

> 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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