[gmx-users] Convert drug Charmm topology to Gromacs

Alexandre Suman de Araujo asaraujo at ibilce.unesp.br
Thu Aug 25 14:46:30 CEST 2011

Why don't you post this in User Contribution area of Gromacs Website?

I think this is something that could interest a lot of people.


Prof. Dr. Alexandre Suman de Araujo
Departamento de Física
Instituto de Biociências, Letras e Ciências Exatas - IBILCE
Universidade Estadual Paulista
e-mail: asaraujo at ibilce.unesp.br
Phone: +55 (17) 3221-2566/3221-2240

Em 24-08-2011 15:55, Fabian Casteblanco escreveu:
> Hello Steven Neumann,
> I recently converted CGenFF parameters into files that are used by
> Gromacs.  If this is what you need, shoot me an email and I can
> provide you with the data sets.
> --
> Best regards,
> Fabian F. Casteblanco
> Rutgers University --
> Chemical Engineering PhD Student
> C: +908 917 0723
> E:  fabian.casteblanco at gmail.com

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