use of tiElecLambdaStart (NAMD 2.7b1)

Date: Fri Mar 27 2009 - 11:00:51 CDT


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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