AMBER Archive (2004)

Subject: AMBER: klambdas and Weights for Gaussian Quadrature

From: Nelson Fonseca (
Date: Tue Oct 12 2004 - 12:01:33 CDT

Experience is what you get when you don't get what you
                      -- Dan Stanford--

Dear all,

I would like to know if the weights for gaussian
quadrature for dV/dL for TI given in the manual could be
used for any value of klambda or if they are only valid
for linear mixing, klambda=1.

Thanks in advance

Nelson Fonseca
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