From: Jérôme Hénin (jerome.henin_at_uhp-nancy.fr)
Date: Mon Jun 27 2005 - 11:52:05 CDT
That may not be the kind of answer you want, but your Tcl script could easily
read and parse the initial PDB file on startup.
Jerome
On Monday 27 June 2005 17:24, wmsmith wrote:
> 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?
-- Jérôme Hénin Equipe de Dynamique des Assemblages Membranaires Université Henri Poincaré / CNRS Tel : (33) 3 83 68 43 95 Fax : (33) 3 83 68 43 87 http://www.edam.uhp-nancy.fr/
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