Quick Start

Note

MoSDeF-GOMC uses the MoSDeF packages to build the chemical system, then MoSDeF-GOMC generates all the required files to conduct a GOMC simulation. NAMD can also use the MoSDeF-GOMC software to generate the system (PDB and PSF files) and force field files, provided they are single residue molecules and the user produces their own NAMD control file.

The following examples are provided as a python file, as well as interactive jupyter notebooks for the simple examples.

• Build A System and Write All Files
  • All-Atom (AA) Hexane and Pentane System
• Examples Repositories
  • Simple Examples
  • Full Examples (Entire Signac Workflows)