Ragnar Bjornsson
Computational chemist
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LCBM, CEA
- Grenoble
- https://sites.google.com/site/ragnarbjornsson/home
- @RagnarBj
Popular repositories Loading
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chemshell-QMMM-protein-setup
chemshell-QMMM-protein-setup PublicMM and QM/MM setup for a metalloprotein using GROMACS, Chemshell and ORCA (Using the CHARMM forcefield (both in GROMACS and with Chemshell) and the ORCA code as QM code for Chemshell.)
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QMprogram-tools
QMprogram-tools PublicVarious scripts for quantum chemistry (mainly ORCA)
Python 13
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