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
