From: brmorgan_at_clarku.edu
Date: Fri Mar 27 2009 - 11:00:51 CDT
Hi,
In the thermodynamic integration implemented in NAMD 2.7b1, should
tiElecLambdaStart always be used, and how would one determine the best
value to use? How much does the use of a non-zero tiElecLambdaStart affect
the results? My system changes in total charge as a function of lambda and
I plan to use PME.
Thank you,
Brittany Morgan
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