Examples Using htpolynet run

We present here three tutorials to help illustrate usage of htpolynet run to build polymerized systems.

IMPORTANT DISCLAIMER

These are not production-level builds. The system sizes are way too small and the equilibration times are way too short. You as a user are responsible for conducting the appropriate finite-size-effect tests and equilibration tests needed to guarantee robustness of your simulations.

Contents:

• Poly(4-methyl styrene)
  • Introduction
  • Monomer: 4-methylstyrene
  • Reactions
  • The Configuration File
  • Running the Build
  • Results
• DGEBA-PACM Thermoset
  • Introduction
  • Monomers
  • Reactions
  • The Configuration File
  • Running the Build
  • Results
• BisGMA-Styrene Thermoset
  • Introduction
  • Reactions
  • The Configuration File
  • Running the Build
  • Results