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).
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 ?
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