Momentum and Configurational Equilibrium
Momentum and configuration coordinates are in thermal equilibrium
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- momentum and configuration coordinates must be “at same temperature” or there will be net energy flux from one to other
An arbitrary initial condition (pN,rN) is unlikely to have equal momentum and configurational temperatures
- and once equilibrium is established, energy will fluctuate back and forth between two forms
- ...so temperatures will fluctuate too
Either momentum or configurational coordinates (or both) may be thermostatted to fix temperature of both
- assuming they are coupled