AMBER Archive (2008)

Subject: Re: AMBER: Help with NMODE

From: David A. Case (
Date: Fri May 02 2008 - 14:28:51 CDT

On Fri, May 02, 2008, Seth Lilavivat wrote:
> It is only the 1-4 EEL that is different, and I am using a dielectric of 1.0
> for both the sander and nmode. Thank you for the heads up, I will
> investigate any further differences... hopefully I can find something.

sounds like scee to me...remember that the default value is different in nmode
than in sander, so you have to set this explicitly.


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