[gmx-users] Where to locate the functional form of [ bonds ], [ angles ] and [ dihedrals ]?

Mark Abraham mark.j.abraham at gmail.com
Wed Jul 23 22:36:35 CEST 2014


There's a nice table in chapter 5 of the manual that cross-references the
sections in chapter 4.

Mark


On Fri, Jul 18, 2014 at 11:40 AM, Yip Yew Mun <yipy0005 at gmail.com> wrote:

> Hi, I know certain functional forms are represented by certain integers in
> the .itp files. As I’m constructing my own .itp file, I wish to know where
> is a possible place for me to find out which integer represents which
> functional form?
>
> Thanks, any help is greatly appreciated. =)
>
> Yip Yew Mun (Mr) | PhD Research Scholar | Division of Chemistry &
> Biological Chemistry
> School of Physical & Mathematical Sciences | Nanyang Technological
> University | Singapore 639798
> Tel: (+65) 97967803 | Email: yipy0010 at e.ntu.edu.sg | GMT+8h
>
> --
> 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.
>


More information about the gromacs.org_gmx-users mailing list