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Up: Molecular Dynamics at Constant
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- 1.
- How would you calculate the heat capacity from an
MD run with van Gunstern-Berendsen thermostat
- using the energy fluctuations
- using the average energies obtained from the MD runs at different
temperatures
© 1997
Boris Veytsman
and Michael Kotelyanskii
Tue Dec 2 20:24:47 EST 1997