[AMBER] Hydrogen Bond

From: ATUL KUMAR <atul44_sit.jnu.ac.in>
Date: Mon, 9 Oct 2017 17:24:07 +0530

I have 3 component system which consists of water, co-solute(each co-solute
molecule has 3 OH group) and protein. I am interested in calculating total
number between
(a) solvent-solvent. in this case water-water,
(b) co-solute - solvent, where co-solute is hydrogen bond donor(since it
has 3 -OH groups) and oxygen of water as hydrogen bond acceptor
(c) co-solute - solvent, where co-solute is hydrogen bond donor and water
as hydrogen bond acceptor.

Thank you

*Atul Kuamr jaiswal*
Research Scholar
School of Computational and Integrative Sciences
Centre for Computational Biology and Bioinformatics (CCBB)
JNU,New Delhi
India.
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Received on Mon Oct 09 2017 - 05:00:02 PDT
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