AMBER Archive (2003)

Subject: AMBER: ptraj question

From: Lishan Yao (yaolisha_at_pilot.msu.edu)
Date: Thu Sep 11 2003 - 14:48:08 CDT

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_at_atom atom# :res_at_atom atom# :res_at_atom %occupied
distance angle lifetime maxocc
| 13868 :869_at_OE2 | 15697 :976_at_H7 15696 :976_at_O2 | 100.00 2.630 (
0.11) 14.49 ( 7.10) 915.0 ( 0.0) 915
|@@@@@@@@@@@@@@@@@@@@| 

-- 
Lishan Yao <yaolisha_at_pilot.msu.edu>
MSU

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu