Hi,
Absolute energy from an additive MM FF isn't very meaningful on its
own. What matters is the differences in energy between any two
conformations. So a positive energy on its own is nothing to worry
about.
-Dan
On Fri, Dec 21, 2018 at 6:39 AM Rajarshi Roy <phd1701171011.iiti.ac.in> wrote:
>
> Dear AMBER users and developers,
>
> I simulated a small glycan in an implicit solvent using igb=2. But
> surprisingly the total energy and the potential energy of the system remain
> positive. But the same structure in an explicit solvent is showing negative
> total energy. Can anyone help me out from this? Is it normal to have
> positive energy?
> Thank you in advance.
>
> --
> *with regards*
>
> *Rajarshi Roy*
>
>
> *PhD Research Scholar*
>
> *Biosciences and Biomedical Engineering*
>
> *Indian Institute of Technology, Indore*
> *India*
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Received on Fri Dec 21 2018 - 06:00:04 PST
