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

1__2 6__ // 3\/ \\ |||4| \\___ /\___// 5 7 I want to know if 1-2-3-6 torsion should be included? And if both 2-3-4-7 and 6-3-4-5 should be included? Thanks. Ming On Tue, Apr 27, 2010 at 6:43 PM, Justin A. Lemkul wrote: > > > Ming Han wrote: >> >&

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

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. Min