[gmx-users] improper dihedral convention

Parvez Mh parvezmh89 at gmail.com
Wed Feb 10 18:40:59 CET 2016

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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