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README for MSFF (Metal Solution Force Field)

Purpose :

Parameter set for Metals in Solution.

Files :

MSFF.parm MSFF.top MSFF_CHARMM.inp

Reference :

Richard P. Matthews and Kevin J. Naidoo. “Experimentally Consistent Ion Association Predicted for Metal Solutions from Free Energy Simulations” J. Phys. Chem. B. 2010, 114(21), 7286-7293. DOI: 10.1021/jp911823x