[gmx-users] editconf

Isabella Daidone i.daidone at caspur.it
Thu Apr 22 18:06:00 CEST 2004

> 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.
But is it correct that in principal, the inertia axes should be calculated
with respect to the center of mass?
Since there is this bug and since I need the correct aligment of the axes,
what should I do?
Is there a way to center the center of mass of the system onto the
cartesian origin?

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