Hello! I wanted to ask where I can analyze decorrelation functions of, for instance, bonds and torsions? I have the tool g_analyze with option -ac. Here I get negative values, but I thought that the function is in a range between 0 and 1. I would like to have the P2 decorrelation function, so I used -P 2, but it was not working: Fatal error: Incompatible mode bits: normal and vector (or Legendre)
Do you know what I must do? Can I also define vectors between different atoms and analyze here the decorrelation function? Regards and thanks, Thomas -- Neu: GMX De-Mail - Einfach wie E-Mail, sicher wie ein Brief! Jetzt De-Mail-Adresse reservieren: http://portal.gmx.net/de/go/demail -- 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
