Dear amber users
my simulation system contains protein, dna and water molecule.
I created a mdcrd file containing protein, dna and 8 interfacial water
molecules.
I want to know can I obtain information about water-medited hydrogen bonds
using ptraj?
can I know which of interfacial water molecules form water-medited hydrogen
bonds with occupancy?
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 Thu Mar 03 2011 - 04:30:06 PST
