[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,
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Clark S296                                            |   |                 But I've bought a big bat. 
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