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: [email protected] | 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 [email protected].
