[gmx-users] itp file

[Lovika Moudgil]

Thanks for reply Lalit , Actually  my system have citrate anion and I want
.itp for citrate and further I will use OPLA/SS force field!! It can't be
generated be pdb2gmx!!

Regards
Lovika

On Thu, Sep 11, 2014 at 3:35 PM, Lalita Shaki <lalitashaky at gmail.com> wrote:

> Hi Lovika,
>
> You can't use the .itp file from GROMOS for other
> forcefield. Which kind of molecule are you studying?
> For generating the .itp file is usually use the pdb2gmx
> tool.
>
> Regards
>
> Lalita
>
>
> > Message: 1
> > Date: Thu, 11 Sep 2014 10:22:39 +0530
> > From: Lovika Moudgil <lovikamoudgil at gmail.com>
> > To: "gmx-users at gromacs.org" <gmx-users at gromacs.org>
> > Subject: [gmx-users] itp file
> > Message-ID:
> >         <CANz=wd=
> > cCwj65Te2Vc5eZf_3k_noS0YfXRKUsX+Bf1WzKgrzWQ at mail.gmail.com>
> > Content-Type: text/plain; charset=UTF-8
> >
> > Hi everyone ,
> >
> > Need some help  . I am using OPLS/AA force field . I am generating .itp
> > file from external tool , But these tools are using GROMOS force fields .
> > Is it fine to use these .itp files with OPLS/AA force field ?? Or if its
> > not fine to use these file with different force field than how can I
> > generate .itp files for OPLS/AA ?
> >
> >
> > Thanks and Regards
> > Lovika
> >
> >
>
> --
> Lalita S. Uribe.
> European Master in Theoretical Chemistry and Computational Modeling.
> PhD student. Johannes Gutenberg-Universität Mainz
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