Re: AMBER: Topology file problem in TI !

From: David A. Case <>
Date: Thu, 8 Mar 2007 07:59:22 -0800

On Thu, Mar 08, 2007, Pradipta Bandyopadhyay wrote:
> But since, leap is complaining the charge of the perturbed state is
> non-integral, I can't save the topology file.

I don't understand this: leap might print a warning about charges, but that in
itself would not keep it from saving a prmtop file.


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Received on Sun Mar 11 2007 - 06:07:17 PDT
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