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
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Received on Wed Oct 03 2007 - 06:07:33 PDT
