[gmx-users] how many dihedral angles should be included for the naphthalene molecule if I use oplsaa

Ming Han minghan2000 at gmail.com
Wed Apr 28 00:38:07 CEST 2010


Dear all,

I want to test a MD simulation job for the naphthalene molecule by the
oplsaa force field by. The x2top generated less number of dihedral
angles than what I expected. Do you know how many dihedral angles
should be included for the naphthalene molecule if I use oplsaa?

Thanks a lot.

Ming



More information about the gromacs.org_gmx-users mailing list