Dear AMBER users
I would like to perform a MD with a covalently bound DNA-drug complex. amber 7 and 8 is available.
For the DNA I will use the AMBER force field but I would like to employ simultaneously the gaff force field for the drug.
Therefore, one bond, four angles and a few dihedral angles at the connection between both residues will exhibit amber atom types as well as gaff atom types.
Does any complications result from that circumstance?
Best regards
Michel Beacker?
Erweitern Sie FreeMail zu einem noch leistungsstärkeren E-Mail-Postfach!
Mehr Infos unter *
http://freemail.web.de/home/landingpad/?mc=021131* [
http://freemail.web.de/home/landingpad/?mc=021131]
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Nov 08 2006 - 06:07:08 PST