samuelmurail / gromacs_pyView external linksLinks
Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a pdb file, create the simulation system (box, add water and ions) and run minimisation, equilibration and production run.
☆51Jul 5, 2022Updated 3 years ago
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