[gmx-users] Mutation on membrane protein - Charmm36 for Gromacs

CROUZY Serge 119222 serge.crouzy at cea.fr
Thu Aug 4 16:21:05 CEST 2016

Hello Gromacs users 

I'd like to use Gromacs to find free energy change in a membrane protein upon single-residue mutation
Does anyone have proper forcefield files for doing this ?
Charmm36_AA_MUTATION_FORCEFIELD for mutated proteins mixed with charmm36.ff_4.5.7 for lipids ?
(I've already got a membrane protein inserted in a membrane built and energy minimized with CHARMM)

This would be of GREAT help

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