To learn more about how to run GOMC, and the various, Monte Carlo moves, force fields, and other simulation capabilities in GOMC, please refer to our documentation.
GOMC Example Files
To help new users to start using GOMC, a few example systems are provided. These include simulations in the NVT, NPT, GCMC, and Gibbs Ensembles. The examples can be downloaded or cloned from the GitHub repository.
We have given a number of workshops on how to use GOMC, two of which are provided here. Going through the workshop examples is probably the fastest way to get up and running with GOMC.
GOMC High Throughput Screening (HTS)
To support the use of GOMC for high throughput screening of metal organic frameworks (MOFs) for gas adsorption and separation our team has developed a tool to automatically generate the simulation input files for more than 7000 MOFs, from structures found in the CoRE-MOFs database. To download the HTS tool, please refer to HTS repository on GitHub.