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HITS-MCM / gromacs-ramd

Random Acceleration Molecular Dynamics in GROMACS
GNU Lesser General Public License v2.1
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Create RAMD input variables and read them from file md.mdp #2

Closed BerndDoser closed 5 years ago

BerndDoser commented 5 years ago

Add following variables to input section:

ramd ramd-seed ramd-force ramd-steps ramd-rMinRamd ramd-forceOutFreq ramd-maxDist ramd-protein ramd-ligand