AMBER Archive (2002)

Subject: van der Waals, hydrogen bond energy

From: Qing Zhang (qingzhang_nyu_at_yahoo.com)
Date: Fri Jun 28 2002 - 17:57:10 CDT

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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