It is common to subtract the average value of the data. Hence the ACF usually contain negative values.
20 dec 2012 kl. 14.30 skrev 申昊: > > Dear GROMACS users, > > I have been working on calculating distance autocorrelation functions by > using g_analyze. > The codes i used was > g_analyze -f dist.xvg -ac autocorr.xvg -temp 300. > 'dist.xvg' is about the average distance against simulation time. The two > columns are both positive datas. > However, the result show a mixture of positive and negative datas. In my > opinion, the autocorrelation function should be always positive. > > Can anyone help me with that ? > > HaoShen > -- > 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/Support/Mailing_Lists/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/Support/Mailing_Lists ----------------------------------------------- Erik Marklund, PhD Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: +46 18 471 6688 fax: +46 18 511 755 er...@xray.bmc.uu.se http://www2.icm.uu.se/molbio/elflab/index.html -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
