[gmx-users] AMOEBA in gromacs
ghermitage at gmail.com
Sun Aug 3 08:39:24 CEST 2008
Is it the case that the gromacs simulation engine can not presently make use
of the AMOEBA force field?
i.e. it is not possible to use amb2gmx on amoeba topology and
coordinates output from amber's leap and have the result executed by
gromacs? I see a flag is set in amber simulation engine to get an amoeba
Would changing gromacs to use amoeba be a major exercise?
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