Dear Dr. van der Spoel: Thanks for the clarification in your reply. One more thing I was just curious is that, for C(t) = < f(x).f(x+t) >, what is the default value for t, which is often called "correlation time", in gromacs for correlation function calculation, especially in "g_hbond", and/or is it possible to customize the t in gromacs?
best Rama On Fri, Feb 26, 2010 at 10:03 PM, David van der Spoel <sp...@xray.bmc.uu.se>wrote: > On 2010-02-27 03.27, Ramachandran G wrote: > >> Hi gromacs users: >> As you know autocorrelation function C(t) >> >> C(t) = <f(0).f(t)> >> >> 't' value can start from 0 but, i would like to know what value does >> gromacs use, more specifically for g_hbond. >> Can anyone help me? Thank you. >> >> Rama >> >> The <> tell you that all time origins x are used, so > C(t) = < f(x).f(x+t) >_x > > > -- > David van der Spoel, Ph.D., Professor of Biology > Dept. of Cell & Molec. Biol., Uppsala University. > Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. > sp...@xray.bmc.uu.se http://folding.bmc.uu.se > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Postdoctoral Research Scholar, Department of Chemistry, University of Nevada, Reno.
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
