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