AMBER: ptraj question

From: Lishan Yao <yaolisha.pilot.msu.edu>
Date: 11 Sep 2003 15:48:08 -0400

Hi:
   I use ptraj to do H bond analysis. Here is the output I get, I don't
quite understand the %occupied term, the lifetime term and the maxocc
term and those numbers in the parenthesis. Can any one give me some clue
about what they are?

Thanks in advance.

Lishan

        DONOR ACCEPTORH ACCEPTOR
  atom# :res.atom atom# :res.atom atom# :res.atom %occupied
distance angle lifetime maxocc
| 13868 :869.OE2 | 15697 :976.H7 15696 :976.O2 | 100.00 2.630 (
0.11) 14.49 ( 7.10) 915.0 ( 0.0) 915
|....................|

-- 
Lishan Yao <yaolisha.pilot.msu.edu>
MSU
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Sep 11 2003 - 21:53:00 PDT
Custom Search