[gmx-users] itp file

[Lalita Shaki]

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