Hi, I was wondering whether gromacs can calculate a quantity called molecular surface area(MSA) which is different from solvent accessible surface area(SASA). By definition, SASA of a molecule is the area of surface traced by center of a spherical water probe rolling on a vander wall surface of the given molecule. I think g_sas provides SASA. But MSA is something different. It is the area generated by the part of the probe surface facing the given molecule. But, I am not sure whether gromacs can calculate it . Jagannath
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