[gmx-users] Parameter file, regarding

[Mark Abraham]

Hi,

I wouldn't parametrize a molecule until I had a plan for how to get it in
the format that I needed. Maybe SwissParam is an alternative?

Mark

On Fri, Dec 15, 2017, 6:37 AM RAHUL SURESH <drrahulsuresh at gmail.com> wrote:

> Dear all
>
> I am performing a Protein-Ligand interaction in charmm36 ff. As the
> molecule is having penalty over 50 I parameterized the molecule using fftk
> plugin of VMD and generated the parameter.par file. Now I wonder how can I
> get my top, itp and other mandatory files with the calculated
> parameters(using fftk) to perform my MD simulation using gromacs 2016
> package.
>
> Thanks in advance
>
> --
> *Regards,*
> *Rahul Suresh*
> *Research Scholar*
> *Bharathiar University*
> *Coimbatore*
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