> How can I fix this in my leap script, I guess I need to add atoms to my
> unit Da5 or create a complete new unit - is that correct?
> Has someone already solved this?
> Some help on the way would be highly appreciated!
You need to developped a new unit compatible with the AMBER force field.
See Cieplak et al. J Comput Chem 1995 16 1357-1377
F.-Y. Dupradeau
DMAG EA 3901 & Faculte de Pharmacie, Amiens, France
The Scripps Research Institute, La Jolla, CA, USA
--
http://www.u-picardie.fr/labo/lbpd/FyD.htm
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Mar 03 2005 - 19:53:01 PST
