AMBER Archive (2007)

Subject: AMBER: constant pH

From: Eddie Men (pckboy_at_gmail.com)
Date: Tue Oct 02 2007 - 04:45:34 CDT

Greetings Amberites!_

I am trying to set my cpin file, for constant pH molecular dynamics
simulations. Unfortunely I have no idea from the manual as how to set
the initial cpin values to a given initial pH. Can I just take the
defaults and simulate to a constant pH by using the solvph flag?.
Can anyone send me a link with examples of how to use the cpinutil.pl
util?. I got a place a couple of days but can not find it anymore :(

Help would be appreciated.

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