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

Yip Yew Mun yipy0005 at gmail.com
Fri Jul 18 11:40:31 CEST 2014

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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