| Class | Description |
|---|---|
| TestAceticAcidMC3D_NPT |
OPLS Acetic Acid Monte Carlo NPT simulation in 3D.
|
| TestAceticAcidMC3D_NPT.AceticAcidMCParam | |
| Wertheim2SiteAceticAcid |
Wertheim coefficients calculation for acetic acid using IMPROVED OPLS united-atom model.
|
| Wertheim2SiteAceticAcid.WertheimParam |
Inner class for parameters
|