Re: AMBER: ????pig5678??????

From: David A. Case <>
Date: Tue, 10 Jul 2007 08:14:45 -0700

On Tue, Jul 10, 2007, pig5678 wrote:

> I am using the thermodynamic integration method to calculate free energy,
> but I do not know how to turn off the van der waals interaction, and I do
> not how to introduce the "dummy" atoms.I would be most happy if you can
> tell me, I am looking forward to hearing from you. thank you very much.

Please see these tutorials:


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Received on Wed Jul 11 2007 - 06:07:46 PDT
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