AMBER: gaff atom types for phosphor compouds

From: astrid.maass <astrid.maass.scai.fhg.de>
Date: Tue, 09 Dec 2003 14:51:33 +0100

>
>
>
>
>
Dear all,


Is it possible to model compounds like cationic PH4, pentavalent PCl5
and anionic PF6 with the gaff atom types?
Which atom types are appropriate?

Thank you for response,

best wishes


Astrid



-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jan 14 2004 - 15:53:06 PST