From: \ (jonathan_at_ibt.unam.mx)
Date: Tue Aug 30 2005 - 20:29:08 CDT
You can use CHARMM to do this. Or, you could also write a program (for example,
in Mathematica), since the Physics part of the code is really simple.
Quoting "Stern, Julie" <jvstern_at_bnl.gov>:
> Has anyone calculated the moments of inertia and/or the principal
> axes and can say
> the best way or point to any helpful scripts? I would need to do this
> based on a subset
> of the atoms and not the whole system. Thanks.
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