[gmx-users] g_angle command output

[David van der Spoel]

On Thu, 2005-10-20 at 12:14 +0200, Ester Chiessi wrote:
> Hi
> 
> I was performing an analysis of the conformational dynamics of my system ( a 
> polymer network in SPC water ) by g_angle ... -type dihedral .....
> Using the options -ot and -oh  I red in the output of the command:
> ........
> Time between transitions: 116.601 ps.
> 
> What does exactly represent this value?

I think it just counts the number of transitions and divides the total
time by that number.
> 
> >From the dihedral histogram I estimated an average conformation lifetime of 
> 296 ps.
How did you do that?

> 
> Thanks for your attention
> Ester 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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