Re: Positive VDW energies

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Thu Oct 25 2018 - 16:32:50 CDT

Hi Nick, the reply to one of the messages:
https://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2013-2014/2290.html
sounds like a very plausible explanation.

On Thu, Oct 25, 2018 at 4:00 PM Nick Palmer <tuf90798_at_temple.edu> wrote:

> Hello everyone,
>
> When running simulations, is it typical to have slightly higher than
> positive VDW energies?
> After running NAMDEnergy on my system I found that the energies pretty
> consistently are in the range of +5 to +40. I read some previous posts
> which I'll link to below, but I don't think there was a resolution to them.
>
> https://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2013-2014/2289.html
>
>
> https://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2005-2006/3358.html
>
> Thank you in advance
> --
> Nicholas J. Palmer
>

-- 
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD
http://goo.gl/Q3TBQU
https://github.com/giacomofiorin

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