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