[gmx-users] Porting to Gromacs of Parmbsc1

[Sarath Chandra]

A forcefield on Parmbsc1 is out and it has reportedly fixed some issues
with DNA structures

http://www.nature.com/nmeth/journal/v13/n1/full/nmeth.3658.html
http://mmb.irbbarcelona.org/ParmBSC1/help.php?id=download

Is there a script to convert lib and frcmod files to a newFF.ff directory
and then check the forcefield for validation?

Regards,

Sarath





Validating would be running some test systems

On 14 February 2016 at 20:24, Mark Abraham <mark.j.abraham at gmail.com> wrote:

> Hi,
>
> Nobody's working on it to my knowledge, but if a forcefield has been
> published, seems likely to be of use to multiple people, and a validation
> script can show it works correctly with respect to the reference
> implementation, then we'll consider it for inclusion in GROMACS.
>
> Mark
>
> On Sun, 14 Feb 2016 14:39 Sarath Chandra <sarathchandradantu at gmail.com>
> wrote:
>
> > I wish to use Parmbsc1 for DNA simulations. Are there any timelines to
> port
> > Parmbsc1 into Gromacs along with amber14sb?
> >
> > Regards,
> >
> > Sarath
> > --
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