Hello! I have a question concerning decorrelation/autocorrelation functions:
I studied the topic of autocorrelation function in Gromacs. For instance, I can define any distance between different atoms of my IL over time (g_dist) as *.xvg file. For g_analyze, I use this as input and plot the autocorrelation function (-av) and can fit it with -fitfn exp. But when I want to use the Legendre option -P 2 to get a second order legendre polynomial (which is used quite often in literature) the error appears: Incompatible mode bits: normal and vector (or Legendre) I think that I need vectors but this can not be done in Gromacs, does it?. How can I get Legendre functions, also for dihedrals? I'm looking forward to your answer! Thanks. Thomas -- NEU: FreePhone - kostenlos mobil telefonieren und surfen! Jetzt informieren: http://www.gmx.net/de/go/freephone -- 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
