On Fri, Jul 11, 2008, Harry (Yicun) Ni wrote:
>
> For an improper torsion as A (A-B-C-D)
> |
> C
> / \
> B D
> Which two planes form the improper dihedral angle using in energy
> calculation?
Impropers are no different than "regular" torsions;
> (ACB--ACD, ACB--BCD or BCD--ACD?) Thank you very much.
^^^^^^^^ this one.
...dac
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Received on Sun Jul 13 2008 - 06:08:04 PDT
