GROMACS has long had an extremely useful preprocessor tool that prepares molecular dynamics simulations for execution. The preprocessor […]
HPC applications have always had to grapple with running on a wide range of hardware. The current era […]
The recent GROMACS advanced workshop was enthusiastically attended by 30 participants from Sweden, Finland, and even around the […]
The lead developer for the GROMACS Python API (gmxapi – see https://academic.oup.com/bioinformatics/article/34/22/3945/5038467), Dr Eric Irrgang of Prof. Peter […]
On Nov 6, the first ENCCS developer progress meeting was held. We took an in-depth look at the […]