Re: amber-developers: No DV/DL values at clambda=1 for vdW pert

From: B. Lachele Foley <>
Date: Fri, 10 Mar 2006 11:12:37 -0700

> dV/d(lambda) = k * (1- lambda)^(k-1) * (V_1 - V_0)

Yeah, ok -- sorry to make you have to point that out. I
really did know that, but it was gone from my head.

Thanks for the code.

>I and Harry Stern derived a new mixing function, which will
make the

I'm interested. But, to minimize variables, I think I should
finish my current project in Amber 8. Maybe that's not as
important as I think. My systems seem to be headed to zero at
lambda=0.95, though, so icfe=1 should be ok.

I do think printing values at 1 (or 0 & 1) is reasonable --
just in case someone's brain momentarily lapses...

:-) lachele
B. Lachele Foley, PhD, '02
Assistant Research Scientist
Complex Carbohydrate Research Center, UGA
Received on Wed Apr 05 2006 - 23:49:40 PDT
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