Thank you! I will find out! On Tue, Jun 12, 2012 at 3:41 PM, Justin A. Lemkul <[email protected]> wrote:
> > > On 6/12/12 10:39 AM, Steven Neumann wrote: > >> Dear Gmx Users, >> >> Do I have to get rid of pbc from my trajectory in order to calculate >> number of >> hydrogen bonds using g_hbond? I mean: Does pbc has any influence on the >> number >> of hydrogen bonds? >> >> > Nearly all Gromacs analysis tools deal with periodicity. g_hbond only > needs to measure simple distances and angles, which should be unaffected by > PBC. Try it and see. > > -Justin > > -- > ==============================**========== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > Please don't post (un)subscribe requests to the list. Use the www > interface or send it to [email protected]. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >
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