AMBER Archive (2002)Subject: TI integration
From: Joe Fernandez (joefern9999_at_yahoo.com)
Date: Sat May 04 2002 - 08:59:57 CDT
Hi:
I am using sander to determine binding free energy.
One of my perturbed atoms is a "dummy" atom and so I
using klambda=4. I do not have access to reference 54
mentioned in manual. Where can I get coefficients and
weights for gaussian quadrature for klambda=4?
Thanks.
__________________________________________________
Do You Yahoo!?
Yahoo! Health - your guide to health and wellness
http://health.yahoo.com
|