How to implement CUFIX(nbfix) parameters for K+ : carbonyl interactions into CHARMM.ff for gromacs?

24 March 2020 0 6K Report

I would like to implement CUFIX parameters for K+ : carbonyl interactions into charmm forcefield for gromacs. Unfortunately creators provide only files and instructions for implementing it into amber.ff for gromacs or charmm.ff for NAMD (http://bionano.physics.illinois.edu/CUFIX). Any advices will be greatly appreciated

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