Re: [AMBER] PMEMD vs GROMACS?

From: Hannes Loeffler <hannes.loeffler.stfc.ac.uk>
Date: Tue, 24 Feb 2009 08:39:29 +0000

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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Received on Wed Feb 25 2009 - 01:17:26 PST