AMBER Archive (2001)

Subject: a correction, sorry

From: Andreas Svrcek-Seiler (svrci_at_tbi.univie.ac.at)
Date: Fri Jun 08 2001 - 08:43:39 CDT

> %CENMAS-F-INERTIA_TENSOR, determinant is zero ... stop
..could it be that your 'molecule' or whatever
contains only one atom or is a 'completely straight' polymer
(or a diatomic molecule)?
these are the only objects that come to my mind
for which ALL THREE (resp. one) eigenvalue(s) of the Inertia tensor
          ^^^^^^^^
are zero (as long atoms are treated as point-masses).
hope it helps,
best regards
andreas 

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