Hybrid-REM coarse-graining
Files relevant for the hybrid CG-approach. This includes python-scripts and all relevant structure- and parameter-files. The upload also contains a mapping-script that allows one to map atomistic trajectories to coarse-grained trajectories (compatible with the openmm format). The mapping-files for the three systems are included. In addition, the upload contains readme-files that give a concise description over the files and worklow.
Publication Details
- Journal
- Zenodo (CERN European Organization for Nuclear Research)
- Published
- 2024-12-30
- DOI
- https://doi.org/10.5281/zenodo.14579394
- Primary Topic
- Block Copolymer Self-Assembly
- Type
- article
- Field-Weighted Citation Impact
- 0.00