Cargando…
charmm2gmx: An Automated Method to Port the CHARMM Additive Force Field to GROMACS
[Image: see text] CHARMM is one of the most widely used biomolecular force fields. Although developed in close connection with a dedicated molecular simulation engine of the same name, it is also usable with other codes. GROMACS is a well-established, highly optimized, and multipurpose software for...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10369483/ https://www.ncbi.nlm.nih.gov/pubmed/37399236 http://dx.doi.org/10.1021/acs.jcim.3c00860 |