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Automatically generate pull code properties from demystifying output

Open oliverfleetwood opened this issue 5 years ago • 0 comments

Given some feature type supported by GROMACS (dihedrals, distances etc) and a topology of the system, modify the index file and generate the pull code MDP input for enhanced sampling simulation.

oliverfleetwood avatar Jun 30 '20 13:06 oliverfleetwood