[gmx-users] Parameter file, regarding

[RAHUL SURESH]

On Fri, Dec 15, 2017 at 4:07 AM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> 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?
>

Thank you. I will follow the same as you from next time.



>
> 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*
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>



-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*