[AMBER] Total energy of glycan simulation is postive

From: Rajarshi Roy <phd1701171011.iiti.ac.in>
Date: Fri, 21 Dec 2018 17:08:30 +0530

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 - 04:00:02 PST