AMBER: H-bond in each fram

From: nag raj <nagaraju_chem.yahoo.co.in>
Date: Sun, 7 Jan 2007 21:49:57 -0800 (PST)

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.

__________________________________________________
Do You Yahoo!?
Tired of spam? Yahoo! Mail has the best spam protection around
http://mail.yahoo.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jan 10 2007 - 06:07:16 PST
Custom Search