From: Philipp Schoen1 (SCH_at_zurich.ibm.com)
Date: Thu Apr 12 2007 - 04:36:31 CDT
Dear Users
I want to bin my computational domain in a number of sub-bins, say cubes,
in order to calculate a temperature landscape.
The way I'm trying to do it right now is loading the pdb file plus the
corresponding velocity dcd.
My question: How can I define a spatial grid? How can I address the pdb for
looking at atoms at a certain location by simultaneously calculating the
temperature from the dcd file.
Any suggestions are very welcome
Cheers
Philipp
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