AMBER Archive (2008)

Subject: Re: AMBER: addions and addions2

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Mar 25 2008 - 12:34:52 CDT


I think it is better to solvate before adding ions, so that each
ion replaces a single water rather than potentially several. This
reduces initial vdw voids.

Bill
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu