[gmx-users] Enthalpy of Vaporization

Pallavi Banerjee pallavisept at students.iiserpune.ac.in
Mon Oct 5 19:50:57 CEST 2015

Correct me if I am wrong, please. Ugas would be obtained from a simulation
of a single molecule in vacuum. And U liq would be the total potential
energy of the system (which is given by g_energy) minus the total bonded
potential energy (bonds+angles+dihedrals). Am I thinking right?


-Pallavi Banerjee

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