nrotamers

The default rotamer number set:

ARG,LYS,MLY,MLZ,M3L -> nrotamers=4000

GLN,GLU,MET -> nrotamers=2500

ASN,ASP -> nrotamers=1500

PRO,HYP -> nrotamers=500

CYS,SER,THR,VAL -> nrotamers=500

HIS,H1S,H2S,PHE,TYR,TRP,SEP,TPO,PTR,TYS -> nrotamers=1500

LEU,ILE -> nrotamers=1500

ALA,GLY -> nrotamers=1000

parameter Description Type Default Value
nrotamers set to multiply the number of rotamers considered. integer 1