[gmx-users] AMBER ports available for GROMACS
Eric J. Sorin
ejsorin at sbcglobal.net
Thu Jun 30 16:27:11 CEST 2005
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 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 / X \ to have troubles with me!
www.stanford.edu/~esorin/ /______\ - Dr. Seuss, "...Solla Sollew"
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