ForceField Dihedral Parameters?

Peter C. McCluskey pcm@rahul.net
Mon, 31 Aug 1998 17:31:33 -0700


 I'm trying to implement some force fields other than Amber, mainly
MM2 and MM3 using the data that comes with Tinker. I think I've figured
out most of what I need, but it isn't obvious what the numbers that
AmberParameters.dihedralParameters returns mean. Can someone give a
brief explanation?

 I've been working slowly but steadily on the code to handle a moiety
library for contructing complex artificial molecules that I mentioned
back in March. It's gotten more complex than I originally expected,
but I should have something worth releasing in another month, and will
be giving a poster presentation on it at the next Foresight conference.
You can see some hints about what I've been doing at:
http://www.rahul.net/pcm/dismol/mmtk.html
-- 
------------------------------------------------------------------------
Peter McCluskey          | Critmail (http://crit.org/critmail.html):
http://www.rahul.net/pcm | Accept nothing less to archive your mailing list