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 - 15:57:10 PDT
