Re: [AMBER] free energy of solvation of small molecules

From: Hannes Loeffler <>
Date: Thu, 3 Dec 2015 11:35:12 +0000

On Wed, 2 Dec 2015 16:55:43 +0200
Fabian gmail <> wrote:

> Sorry I forgot to ask in each lambda reheating and equilibration, I
> should use ig = -1, correct?

That flag controls how the random number generator is seeded. -1 means
to compute the seed from the system time and thus get a different one
at every start of the program (and a different series of pseudo random
number). For the preparation phase this should not really matter but I
don't see why you would not want to just set it to -1 here too.


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Received on Thu Dec 03 2015 - 04:00:03 PST
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