[gmx-users] improper dihedral convention

[Mark Abraham]

Hi,

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.

Mark

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.
>
> Regards
> Masrul
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>