AMBER Archive (2009)

Subject: Re: [AMBER] PMEMD vs GROMACS?

From: Hannes Loeffler (hannes.loeffler_at_stfc.ac.uk)
Date: Tue Feb 24 2009 - 02:39:29 CST

On Tue, 2009-02-24 at 09:24 +0100, Vlad Cojocaru wrote:
> In GROMACS you cannot use neither charmm,
> nor amber force fields unless you implement it yourself.

Both force fields are available for GROMACS
http://chemistry.csulb.edu/ffamber/
http://www.dbb.su.se/User:Bjelkmar/Ffcharmm

There is also a topology converter from AMBER to GROMACS.
http://chemistry.csulb.edu/ffamber/amb2gmx.pl

Don't know how well this works but it is there.

Hannes.

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