On Thu, Jul 4, 2013 at 5:38 AM, Ishwor <ishwor.poudya...@gmail.com> wrote: > Dear all > I have calculated the diffusion coefficient using command g_msd and I want > to calculate diffusion coefficient using command g_velacc. I am confused > with some terms. > 1>I have looked the manual page of g_velacc and i found the statement "the > time interval between data collection points is much shorter than the time > scale of the autocorrelation." What actually does that mean?
Can a movie camera working a 50 frames per second show the motion of a pendulum at 50Hz? How many frames per second would you want? Mark > 2>I am also confused with the flag -acflen ( I have found that it describes > the number of frames to be taken into consideration.Does that mean I have to > take the points ,to integrate, in such a way that it matches with the time > i have used in g_msd for fitting of Einsteins equation) > 3> what does the flag -nonormalize indicates. Do I need to use it > necessarily? > 4>Is the command "g_analyze -f *.xvg -integrate" sufficient for > integration? > Ishwor > Nepal > > > > -- > View this message in context: > http://gromacs.5086.x6.nabble.com/g-velacc-tp5009541.html > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > -- > 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 -- 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