[gmx-users] g_angle command output
David van der Spoel
spoel at xray.bmc.uu.se
Thu Oct 20 13:46:21 CEST 2005
On Thu, 2005-10-20 at 12:14 +0200, Ester Chiessi wrote:
> 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
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
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
More information about the gromacs.org_gmx-users