I sent an email to the list yesterday in which I phrased my query in a rather silly way (thread cpptraj molsurf: query on results)
I understand that surf calculates the surface area of atoms in Angstrom^2. I also understand that it is possible for a particular residue to become buried upon interaction with other residues / ligands. Buried to my understanding means the solvent accessible surface area of the particular residue disappearing i.e becoming zero or close to it. Hence, I fail to understand the negative values of SASA obtained by applying surf.
Any clarification would be most welcome
Regards
George
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Received on Fri Mar 04 2016 - 14:00:03 PST
