Re: AMBER: Puzzle with WAT

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Sat, 17 Nov 2007 16:00:06 -0800 (PST)

Water has an H-H 'bond' so that the SHAKE algorithm can keep it rigid,
which is required for TIP3P.

Bill
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Nov 18 2007 - 06:08:08 PST
Custom Search