Mayer

This is a plugin for Mayer-sampling Monte Carlo.

• MayerSampling

Tutorial

• Second virial coefficient calculation of a Trimer using Mayer-Sampling
• Second virial coefficient calculation of TraPPE ethane using Mayer-Sampling
• Second virial coefficient calculation of a Kern-Frenkel patch using Mayer-Sampling
• Virial coefficients of all-atom mAb domains.
• Virial coefficients of 7-bead coarse-grained mAb model.
• Virial coefficients of spherocylinders.
• Virial coefficients of solids of revolusion.
• Virial coefficients of atomistic proteins in implicit solvent

FEASST plugin dependencies

• Monte Carlo