[gmx-users] center of mass

XAvier Periole x.periole at rug.nl
Mon Mar 16 17:56:16 CET 2009


On Mar 16, 2009, at 5:51 PM, Antonia V. wrote:

> Hello,
>
> I am wondering if there is a tool implemented in GROMACS that  
> computes the
> coordinates of the center of mass of each molecule of a simulation  
> box.
>
g_traj -f traj.xtc -com
> Thank you
> Antonia
>
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