VMD-L Mailing List

From: Manuel Rueda (manu_at_mmb.pcb.ub.es)
Date: Tue Sep 28 2004 - 08:43:52 CDT

Dear VMD list,
 I was testing and modifying some tcl scripts that use the mass of the
atoms in a given selection for calculating some properties (radius of
gyration, moments of inertia ) and I realized that that the mass of the
phosphate atom (name=P) in the vector WEIGHTS is equal to 12 and no to
31.
I guess that this a constant value for some "strange" atoms, am I right?

Best regards
---------------------------------------------------------------------------
Manuel Rueda e-mail: manu_at_mmb.pcb.ub.es
Molecular Modelling & Bioinformatics phone: + 34 93 403 71 55
IRBB, Parc Cientific de Barcelona Fax : + 34 93 403 71 57
C/Josep Samitier 1-5, 08028 Barcelona