AMBER Archive (2008)

Subject: Re: AMBER: question about the improper torsion

From: David A. Case (case_at_scripps.edu)
Date: Sat Jul 12 2008 - 09:43:46 CDT

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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