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makson96 / Dynamics

Dynamics PyMOL Plugin
GNU General Public License v3.0
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Docking #76

Open ghost opened 8 years ago

ghost commented 8 years ago

We should explore possibility of adding some docking capabilities. Using locally enhanced sampling (LES) would be the best.

ghost commented 8 years ago

GROMACS can be patched with PLUMED to provide everything we want

makson96 commented 6 years ago

I am removing initial code for this implementation, as it serves no purpose for now. We will be waiting for better solution.