Dear Amber users,
I would like to calculate Hbonds
between Host and Guest molecule. I want to calculate
percentage of Hbond existing conformations. For more
clear about my problem, here i am giving an example.
In Trajectory file 400 conformations are generated, I
want to caclulate Hbond (between Host and Guest
molecule ) existing conformations out of 400
conformations.
Any suggestions is appreciated....
Thanks in advance.
With regards,
Nagaraju.
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Received on Wed Jan 10 2007 - 06:07:16 PST
