parm94 and parm99 don't have any Hydrogen bonding terms
(by design)
On Fri, 28 Jun 2002, Qing Zhang wrote:
> Dear Amber users:
>
> I did a minimization on a system without solvent, and
> the van der Waals energy was negative while hydrogen
> bond energy was zero from sander's output. But after I
> added water box, the van der Waals energy became
> positive and hydrogen bond energy was still zero, even
> after the system was heated up. Does anyone know why?
>
> Thanks,
>
> Qing
>
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Received on Fri Jun 28 2002 - 17:24:21 PDT
