On Thu, Feb 9, 2012 at 7:25 PM, Kiwoong Kim <[email protected]> wrote: > Hi, > > I have a simulation result from 0 to 50ns after equilibration run. > I want to divide this data set equally into 10blocks (10ns each) and get > block averaged MSD curve (average of 10 blocks).
I would try some external software. excel. > > It seems that I mange to get block MSD data by using g_msd -beginfit 0 > -endfit 10, g_msd -beginfit 10 -endfit 20,.... > Then the output files are msd1.xvg, msd2.xvg,......,msd10.xvg (10 xvg files) > > My question is that how can I get averaged MSD from this outputs?? > It seems that g_analyze is appropriate to do this. > > g_analyze -n 10 -av ?? > > Could anybody tell me how to get averaged MSD using g_analyze (each block > data has different x values but same length) ? > > Another question is that > what is the difference bwn g_msd and g_analyze -msd ?? > Is there any reference of posting to obtain this information ? > > > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
