AMBER: hbond analysis in ptraj(%occupied>1)

From: Lishan Yao <yaolisha.msu.edu>
Date: 25 Mar 2004 10:19:01 -0500

Dear amber users:
     I used ptraj to do the hbond analysis. I got %occupied >1. Does
that mean :971.O4 forms hbond with more than one water molecule or some
else? By the way, could anyone please tell me what is the "lifetime" in
the output?

Best,
Lishan
 
       DONOR ACCEPTORH ACCEPTOR
  atom# :res.atom atom# :res.atom atom# :res.atom %occupied
distance angle lifetime maxocc
 ---------------- ---------------------------------
-------------------------------------
| 15540 :971.O4 | solvent acceptor | 101.98 2.852 (
0.14) 26.75 (14.75) 3.5 ( 5.7) 39


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Received on Thu Mar 25 2004 - 15:53:01 PST
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