[gmx-users] g_velacc

[Mark Abraham]

On Thu, Jul 4, 2013 at 5:38 AM, Ishwor <ishwor.poudyal19 at 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 at 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-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists