[gmx-users] center of mass motion

[Luca Monticelli]

Dear all,

is there an EASY way to calculate the center of mass of a group of atoms
as a function of time (and possibly print it out as a whatever.xvg file)?
I found that the g_dist program calculates the distance between the
centers of mass of two groups of atoms as a function of time, which is
different from what I need. Anybody has suggestions?

Thanks a lot
Luca

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    Luca Monticelli
    Department of Organic Chemistry
    University of Padova
    Via Marzolo, 1, 35131 Padova, ITALY
    tel: +39 49 827 5324
    fax: +39 49 827 5239
    e-mail: luca.monti at chor.unipd.it
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