Hello! i)Here are the commands for my problem with the autocorrelation function which I mentioned in mails before:
g_dist -f traj.trr -s topol.tpr -n index.ndx -o dist.xvg g_analyze -f dist.xvg -ac autocorr.xvg -P 2 Fatal error: Incompatible mode bits: normal and vector (or Legendre) What is the problem here? ii) Usually the rdfs are calculated until half the box length. How can I increase the distance range? Regards, Thomas -- Empfehlen Sie GMX DSL Ihren Freunden und Bekannten und wir belohnen Sie mit bis zu 50,- Euro! https://freundschaftswerbung.gmx.de -- 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
