[gmx-users] editconf

Berk Hess gmx3 at hotmail.com
Thu Apr 22 17:41:02 CEST 2004

>With the option -princ, editconf aligns the principal
>axes of the system along the coordinate axes.
>I think that this also implies that the center of mass of the system is
>now in the origin of the cartesian axes.
>Is this correct?

No, it is not.
But I just noticed there is a bug in the -princ option of editconf.
The routine principal_comp does not center, so this should have
been done before, but it is not.


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