Charged Atoms in External Magnetic Field

From: Westley A Sherman (
Date: Thu Nov 16 2006 - 18:50:12 CST

Has anyone developed an accurate and efficient way to add an external
magnetic field to a simulation of charged atoms? The external magnetic
field I'm interested in would vary with position but not time.

I assume that an external magnetic field could be implemented with
tclForces (or tclBC). Has anyone implemented an accurate external magnetic
field with tclForces (for example, with precise conservation of energy)?

Or, is there an even easier way to add an external magnetic field that I'm
overlooking - something like the facility for external electric fields
that is built into NAMD, but for magnetic fields?

Westley Sherman

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