AMBER Archive (2007)

Subject: AMBER: H-bond in each fram

From: nag raj (nagaraju_chem_at_yahoo.co.in)
Date: Sun Jan 07 2007 - 23:49:57 CST

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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