AMBER Archive (2005)

Subject: AMBER: about the %occupied of hydrogen bond

From: haixiao jin (jinhx952_at_gmail.com)
Date: Wed Sep 14 2005 - 00:39:05 CDT

Dear AMBER users,

I have gotten the hydrogen bond occupied. But in the followed two example, I
don't know how to express the %occupied.
  
atom
 
residue
 
distance
 
%occupied
 
WAT471-O(H1)
 
ASP220 (OD2)
 
2.697
 
55.20
 
WAT471-O(H2)
 
ASP220 (OD2)
 
2.689
 
44.60
 
Ligand-O6
 
ASP184(OD1)
 
2.663
 
98.40
 
Ligand-O6
 
ASP184(OD2)
 
3.171
 
62.60
How many is the %occupied of H-bond between WAT471-O and ASP220? How many is
the %occupied of H-bond ligand-O6 and ASP184?

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