[gmx-users] Calculating hydrogen bonds along the length of the& nbsp; & nbsp; & nbsp; & nbsp; Bilayer
atbfiles at zoho.com
Sun Sep 24 19:03:31 CEST 2017
Thanks James :)Sent using Zoho Mail---- On Wed, 06 Sep 2017 18:20:03 +0530 Wes Barnett<w.barnett at columbia.edu> wrote ----On Mon, Sep 4, 2017 at 2:17 AM, atb files <atbfiles at zoho.com> wrote: > > Hi Experts,How can we calculate hydrogen bonds as a function of distance > from the Bilayer centre.ThanksYogi > > I don't know of any GROMACS utility that does this. Sounds like you may need to find another program for post-simulation analysis or you may need to read in your simulation trajectory into a program you write and code up the calculation. -- James "Wes" Barnett Postdoctoral Research Scientist Department of Chemical Engineering Kumar Research Group <http://www.columbia.edu/cu/kumargroup/> Columbia University w.barnett at columbia.edu http://wbarnett.us -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.
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