From: wmsmith (wmsmith_at_csupomona.edu)
Date: Mon Jun 27 2005 - 10:24:47 CDT
Does anyone know how to access the beta and occupancy values of atoms using
the NAMD tcl script.
For example suppose i wanted to have NAMD apply a force to all atoms with an
occupancy of 1 based on their distance from the center of mass of a fixed
group of atoms (ie beta value = 1).
I know how to do this from VMD running an IMD simulation, but NAMD's tcl
commands seem to be more limited. Any suggestions?
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