[gmx-users] AMBER ports available for GROMACS
mgoette at mpi-bpc.mpg.de
Mon Jul 4 08:53:22 CEST 2005
This will hopefully save lots of my time in the future.
I will soon try and test it...:)
Maik Goette, Dipl. Biol.
Max Planck Institute for Biophysical Chemistry
Theoretical & computational biophysics department
Am Fassberg 11
Tel. : ++49 551 201 2310
Fax : ++49 551 201 2302
Email : mgoette[at]mpi-bpc.mpg.de
WWW : http://www.mpibpc.gwdg.de/groups/grubmueller/
Eric J. Sorin wrote:
> Hi GROMACS users,
> We finally have distribution quality AMBER ports available for GROMACS
> v3.1.4 and v3.2.1, including amino and nucleic acid parameters in
> several AMBER force fields (94/99 and several variants of these). Do to
> pdb2gmx functionality, there are several important aspects of using
> AMBER in GROMACS that need to be understood by the user, and we ask that
> you please read the documentation of the AMBER ports very carefully and
> thoroughly before installation and use. We are working with Erik
> Lindahl to make pdb2gmx fully compatible with the AMBER potentials and
> conventions, and hope to have them included in future GROMACS distributions.
> \|/ \\///
> o) (o o)
> Eric J. Sorin
> .... I learned there are troubles
> Pande Group
> ... of more than one kind.
> Stanford University ___ Some
> come from ahead,
> Department of Chemistry |~| and some come
> from behind.
> Clark S296 |
> | But I've bought a big bat.
> Stanford, CA 94305 / \
> I'm all ready, you see.
> 650.723.1097 / o o \ Now
> my troubles are going
> esorin at stanford.edu <mailto:esorin at stanford.edu>
> / X \ to have troubles with me!
> www.stanford.edu/~esorin/ <http://www.stanford.edu/~esorin/>
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