VMD-L Mailing List
From: Dong Luo (us917_at_yahoo.com)
Date: Fri Nov 04 2011 - 14:42:09 CDT
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Why will you expect it to be summed to 100%? H-bond is not guaranteed to exist at any time. If there is no H-bond at all, you always find nothing in the results.
Dong
________________________________
From: lina <lina.lastname_at_gmail.com>
To: vmd-l_at_ks.uiuc.edu
Sent: Thursday, November 3, 2011 10:06 AM
Subject: vmd-l: How to understand the occupancy?
Hi,
When I used analysis -hydrogen bonds,
it showed me the occupancy is 1.96%, several ones shared the same value.
I added all those percentage, it won't reach 100%.
and suppose there is 51 frames.
Found 15 hbonds.
donor acceptor occupancy
Seg{}-MET77-Main Seg{}-AAA85-Side 1.96%
Thanks for any suggestions,
Best regards,
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