RE: [gmx-users] the radius of dry core

RDF = probability function Methylene density (number in the box (Nt) divided by the box volume), multiplied by probability (RDF) and shell volume (r+dr) calculates number of methylenes (Nm) within a given shell. Fraction = Nm/Nt Catch ya, Dr. Dallas Warren Medicinal Chemistry and Drug Action

RE: [gmx-users] the radius of dry core

Via the methylene - COM RDF. Catch ya, Dr. Dallas Warren Medicinal Chemistry and Drug Action Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@monash.edu +61 3 9903 9304 - When the only tool you own is