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.
_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
|