nuSIMM: nanoHUB user Simulation Interface for Molecular Modeling
26 May 2015 | Tools | Contributor(s): Michael Fortunato, Lauren Abbott, Kyle E Hart, coray colina
Simulated polymerization, equilibration, and characterization of molecular models
Polymatic: A Simulated Polymerization Algorithm
26 Mar 2013 | Downloads | Contributor(s): Lauren Abbott, Coray Colina
Polymatic is a set of codes for structure generation of amorphous polymers by a simulated polymerization algorithm. The main task of Polymatic is to perform polymerization steps within a system based on a number of defined bonding criteria. It works in conjunction with a simulation package to perform energy minimization and molecular dynamics simulations during the polymerization.
Currently, Polymatic is written to work with the Large-scale Atomic/Molecular Massively Parallel Simulator...