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Gromacs_py

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.
Stars
19
License
gpl-2.0
Open Issues
0
Most Recent Commit
2 years ago
Programming Language
Python
Total Releases
15
Latest Release
April 28, 2022
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