[gmx-users] Lambda Dependence when delta_lambda = 0

[Erik Lindahl]

Hi,

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.

Cheers,

Erik