Dear Amber users!
I'm looking for the possibility to calculate number of the water molecules
detected within the protein (here I define area of interests as :MOL)
during molecular dynamic simulation. As the result it will be better to
obtain some graph as well showing dependence of the water within 3 A of Mol
on Y and time on X. Some time ago I did it using some vmd script which was
lost :) so not I'm looking for another possibility to do this kind of
analysis using cpptraj.
I'd be thankful for any help,
James
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Received on Tue Feb 03 2015 - 08:00:04 PST
