[gmx-users] Re: CHARMM36 force field available for GROMACS

ABEL Stephane 175950 Stephane.ABEL at cea.fr
Wed Oct 9 17:28:01 CEST 2013

Hello Justin, 

Two quick questions, here 

- Since the lipid charmm36 parameters for lipids are already available in the gromacs format on the GROMACS website  (charmm36.ff_4.5.4_ref.tgz) from thomas Piggot. Does it means that these files are considered as deprecated and all the users are invited to use in their simulations the CHARMM -GROMACS official release from you ?

- Did you compare the results for the common molecules, to see if some errors/typos in "charmm36.ff_4.5.4_ref.tgz" were presents ?


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