[AMBER] hydrogen bond analysis of gromacs simulation by amber (direct and water mediated HB)

From: leila karami <karami.leila1.gmail.com>
Date: Sun, 5 Dec 2010 12:26:07 +0330

 Dear amber users

I did simulation of protein-dna complex in explicit waters by gromacs.

and now I want to study hydrogen bond : direct and indirect (water
mediated). Can I use amber for that? is it true?

if so, what input files are necessary for hydrogen bond analysis by amber?
How to convert gromacs file to amber files?

any help will highly appreciated

Leila Karami
Ph.D. student of Physical Chemistry
K.N. Toosi University of Technology
Theoretical Physical Chemistry Group
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Received on Sun Dec 05 2010 - 01:00:01 PST
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