AMBER Archive (2008)

Subject: Re: AMBER: Help with NMODE

From: Seth Lilavivat (sethl_at_gatech.edu)
Date: Sun May 04 2008 - 17:15:53 CDT

The results that I am reporting are after I set scee = 1.2

Thanks,
Seth

On Fri, May 2, 2008 at 3:28 PM, David A. Case <case_at_scripps.edu> wrote:

> 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.
>
> ...dac
>
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