[gmx-users] conversion of the AMBER parameters to GROMACS with negative barrier height values

Tamir Dingjan tamir.dingjan at monash.edu
Wed Sep 24 01:59:22 CEST 2014


I've been working with GLYCAM parameters in Gromacs by converting them into
Gromacs format using Acpype: https://code.google.com/p/acpype/ . I haven't
compared the single-point energy with Amber, but the Gromacs-formatted
output is perfectly usable.


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