This section is part of the GROMACS Wizard tutorial. Once a system or a batch project has been successfully prepared, it is necessary to perform the Energy Minimization (EM) step to ensure that the system has no steric clashes or inappropriate geometry. Switch to the Minimize tab. Selecting input structure When launching the Energy Minimization step, GROMACS Wizard requires you to provide one of the following: The path to a GRO file resulting from the previous step: either a GRO … Continue reading GROMACS Wizard – Step 2: Energy Minimization

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