On Thu, Oct 15, 2015 at 5:26 AM, Yip Yew Mun <yipy0005.gmail.com> wrote:
> Hi,
>
> >From the md output file, I see these terms:
>
> BOND
> ANGLE
> DIHED
> 1-4 NB
> 1-4 EEL
> VDWAALS
> EELEC
> EGB
>
All of them.
Have you tried it? If you add them together, do you get the same number as
EPtot? You should be able to figure this out just through a fairly simple
process of "try and compare".
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Oct 15 2015 - 05:00:05 PDT
