[gmx-users] charmmff

Rodrigo Faccioli rodrigo_faccioli at uol.com.br
Wed Jul 21 02:14:06 CEST 2010


The gromacs version in git master, please see the directory

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
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
> --
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