Molecular Mechanics Tutorial (PDF 77P)Thomas
W. Shattuck, Department of Chemistry, Colby CollegePDF
| 77 Pages
This note covers the
following topics: steric energy, enthalpy of formation, comparing steric
energies, energy minimization, molecular dynamics, distance geometry and d to d
model conversion, free energy perturbation theory (FEP), continuum solvation
electrostatics, normal mode analysis, partial atomic charges.