[gmx-users] Thermal expansion coeff.
katesedate at gmail.com
Wed Mar 30 14:59:41 CEST 2011
I asked this question a few days ago but did not receive a solid answer. Has
anyone tried to produce the properties below? Can you comment on accuracy of
these properties using g_energy?
Thermal expansion coeff. (NPT): Enthalpy, Vol, Temp
Isothermal compressibility: Vol, Temp
Adiabatic bulk modulus: Vol, Temp
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