Hi
I have a protein that I have simulated for 1 ns. I want to observe
the variation in the number of water molecules within 2.0 A of the
backbone of the protein, as a function of time. So I should be able
to see this variation as a graph in xmgrace, with time on the X axis,
and the number within 2.0 A on the Y axis. What command could I use
for doing this? If not, is there any way that this can be done?
Thanks very much
Ashutosh Jogalekar
Modeling Laboratory
Chemistry Department
Emory University
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