[gmx-users] itp file for aminoacids

[rose rahmani]

yes of course

On Mon, Oct 30, 2017 at 7:27 PM, R C Dash <rcdash0910 at gmail.com> wrote:

> can you please upload your PDB file?
>
> On Mon, Oct 30, 2017 at 11:41 AM, rose rahmani <rose.rhmn93 at gmail.com>
> wrote:
>
> > 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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