[gmx-users] Force field parameter

Soham Sarkar soham9038 at gmail.com
Sat Jul 7 20:10:37 CEST 2018


I have already mailed them... waiting for their reply..

On Sat, 7 Jul 2018, 11:22 pm Mark Abraham, <mark.j.abraham at gmail.com> wrote:

> Hi,
>
> Your other good approach is to contact the authors to ask them to share
> their methodology fully, ie force field files.
>
> Mark
>
> On Sat, Jul 7, 2018, 13:47 Soham Sarkar <soham9038 at gmail.com> wrote:
>
> > Dear All,
> >              Can anyone please tell me, where from I get the parameters
> for
> > Osmotic, Kast, Netz force field like the files OPLS, CHARMM which is
> > already in GROMACS? I have got the files for the KBFF force field but not
> > these three.  The paper by Dias and group
> > https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.119.108102
> used
> > different force field. I want to go that way.Please provide me with the
> > links or relevant websites for the filese regarding the force field.
> Thanks
> > in advance.
> > -Soham
> >
> > --
> > SOHAM SARKAR
> > Junior Research Fellow
> > Department of Chemistry
> > INDIAN INSTITUTE OF TECHNOLOGY BOMBAY
> > --
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