[gmx-users] Dihedral convention

Parvez Mh parvezmh89 at gmail.com
Wed Apr 13 20:51:26 CEST 2016


Dear all:

I would like to  use a harmonic type potential for dihedral. Should i use
angle value (-180 to 180 ) or (0 to 360) convention. My equilibrium angle
is -64 degree. then what would be the angle -64 or (-64+360=)296 degree?

--Masrul


More information about the gromacs.org_gmx-users mailing list