Re: AMBER: hbond analysis

From: Thomas Cheatham <tec3.utah.edu>
Date: Wed, 4 Oct 2006 15:00:02 -0600 (Mountain Daylight Time)

> since you are presently studying h-bonds maybe you could answer this question
> of mine. Do you know what is the meaning of the lifetime parameter, the number
> after (in parenthesis) and of the maxocc parameter, what are the units used
> for these three (or two since the first two have the same units) parameters?

http://amber.ch.ic.ac.uk/archive/all/7158.html

lifetime is, by default in units of the time between frames (1ps) and can
be altered with the time keyword (to specify the time between frames).
The ()'s hold the standard deviation.

maxocc is the maximum number of frames, sequentially, that the hbond was
formed. This is not a time unit.



-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Oct 08 2006 - 06:07:10 PDT
Custom Search