[gmx-users] g_hbond lifetime output
David van der Spoel
spoel at xray.bmc.uu.se
Mon Apr 24 14:46:58 CEST 2006
Michael Torrice wrote:
> I am confused about the output from the hblife.xvg file of g_hbond.
>
> What exactly is the p(t) output? Is it the percent distribution of a
> given lifetime? If so, I have received p(t) data that sums up to
> anything from 0.1 toi 2.
Check my recent paper:
David van der Spoel, Paul J. van Maaren, Per Larsson and Nicusor
Timneanu Thermodynamics of hydrogen bonding in hydrophilic and
hydrophobic media, J. Phys. Chem. B 110 pp. 4393-4398 (2006)
>
> -Michael
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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://folding.bmc.uu.se
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