[gmx-users] Lambda Dependence when delta_lambda = 0

Erik Lindahl lindahl at stanford.edu
Thu Sep 11 19:38:01 CEST 2003


On Wednesday, September 10, 2003, at 11:39 PM, Ilya Chorny wrote:

> I read that in the manual but that make sense if you incriment lambda. 
> What
> happens if delta_lambda = 0.
> Am I correct to say dh/dl = dH if delta_lambda = 0.

dH/dl is a derivative which is calculated analytically (see manual). 
When init_lambda=0 and delta_lambda=0, you simply get the value of this 
derivative at lambda=0.



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