[gmx-users] GROMACS compatible Charmm36 Phospho residues

[Parker de Waal]

Hi Everyone,

I'd like to use the phosphoserine/threonine parameters from http://mackerell.umaryland.edu/charmm_ff.shtml, however it isn't obvious how to apply these without manually editing the charmm36 forcefield files.

Does anyone know the proper way incorporate these paramters/have already done this and would be willing to share?

Best,
Parker