RE: [gmx-users] molecular surface area(MSA)?

mondal Sent: Friday, 22 October 2010 9:19 AM To: gmx-users@gromacs.org Subject: [gmx-users] molecular surface area(MSA)? 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

[gmx-users] molecular surface area(MSA)?

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