AMBER Archive (2004)

Subject: Re: AMBER: 1-4 EEL

From: David A. Case (case_at_scripps.edu)
Date: Wed Dec 08 2004 - 12:13:08 CST

On Tue, Dec 07, 2004, tang kwa wrote:
>
> mol+Wat mol Wat
> 1-4 EEl -40 -230 0
>
> I don't understand the why I got difference value in
> 1-4 EEl.

I don't understand either. Is there any difference in parameters (dielectric
constants, igb values, anything?) betweeen the "mol+wat" calculation and the
"mol" calculation?

...dac

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