[gmx-users] CHARMM c36 to Gromacs

Jianhui Tian jianhuitian at gmail.com
Tue Aug 31 23:42:17 CEST 2010


Gromacs 4.5-beta3 explicitly include the CHARMM c27 force field but not the
c36 force field. Have anyone done any work to transfer the CHARMM c36 force
field to Gromacs? Dr. Mark James Abraham has written a perl script to do the
charmm_to_gromacs transfer, however that only works for the c27 which is
already included in Gromacs. Thanks a lot

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