[AMBER] softcore TI lambda values of 0 and 1

From: Hugh Heldenbrand <helde010.umn.edu>
Date: Fri, 05 Feb 2010 14:49:05 -0600

Hello Amber Listserv-

Can anyone tell me why the softcore potentials code does not allow
lambda values of 0 or 1?

(copied from output file):

Softcore potentials cannot be used with clambda < 0.01 or > 0.99

 *** input error(s)

-Hugh Heldenbrand


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Received on Fri Feb 05 2010 - 13:00:02 PST
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