[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
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