[gmx-users] GROMACS INPUT FILE

[Mark Abraham]

Hi,

Sounds like you're struggling with the procedure for setting up a
simulation. Have you tried doing a range of tutorial material?

Mark

On Wed, May 10, 2017 at 6:09 PM Neha Gupta <nehaphysics17 at gmail.com> wrote:

> Hi gromacs users,
>
> I want to calculate RDF for my molecule using OPLS parameters.
>
> I used topolbuild and got the required output file.
>
> How to develop the files further to use as input file for gromacs?
>
>
> Thanks,
> Neha
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