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? 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
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