[gmx-users] charmmff

[Rodrigo Faccioli]

Hi,

The gromacs version in git master, please see the directory
share/top/charmm27.ff

That directory contains whole gromacs charmm files. Furthermore, please see
the reference below which explain more details about these parameters.

Bjelkmar, Larsson, Cuendet, Hess, and Lindahl, JCTC 2010

I hope those informations help you.

What do you want to do more specific?

--
Rodrigo Antonio Faccioli
Ph.D Student in Electrical Engineering
University of Sao Paulo - USP
Engineering School of Sao Carlos - EESC
Department of Electrical Engineering - SEL
Intelligent System in Structure Bioinformatics
http://laips.sel.eesc.usp.br
Phone: 55 (16) 3373-9366 Ext 229
Curriculum Lattes - http://lattes.cnpq.br/1025157978990218
Public Profile - http://br.linkedin.com/pub/rodrigo-faccioli/7/589/a5


On Tue, Jul 20, 2010 at 6:57 PM, Sai Pooja <saipooja at gmail.com> wrote:

> Hi,
>
> If one has to make a version of gromacs charmm compatible, which files from
> the charmm compatible version must be looked at?
>
> Pooja
>
> --
> Quaerendo Invenietis-Seek and you shall discover.
>
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