[gmx-users] improper dihedral convention
mark.j.abraham at gmail.com
Wed Feb 10 21:57:17 CET 2016
Yes, the image seems to have been cropped poorly somehow. Hopefully I can
fix it. I is an the middle and j is in the bottom left - if you zoom in the
pdf you can see that only one of the letters i has a serif on the bottom.
On Wed, 10 Feb 2016 18:41 Parvez Mh <parvezmh89 at gmail.com> wrote:
> Dear All:
> I want to apply OPLS-UA improper dihedral to fused benzene ring. I am
> confused with sequence of atoms. I went through manual 4.6.7,page 79, I
> have confusion.
> * l*
> * i*
> / \
> / \
> / \
> * i k *
> I do not know if it is typo or correct, in manual, it use 'i' twice.
> I never used improper, but what makes sense to me central atom should have
> certain sequence.
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