Page History

Introduction
ParamChem is a NSF sponsored initiative to develop an integrated cyber environment to address the simulation needs of molecular sciences.

The major goals of ParamChem are                        

• A comprehensive utility for the optimization and testing of parameters in Force Fields and Semi-Empirical models
• Utilities for systematic expansion of available parameter sets to novel chemical systems
• A searchable database of target data for parameterization as well as parameter sets

Problem
ParamChem uses Paramberoo when analyzing molecular structures. Paramberoo is an external application and it's important to construct scientific workflows using Paramberoo with ParamChem.

Solution

\[1\] -