This section is part of the GROMACS Wizard tutorial. GROMACS automatically generates standard index groups for your system based on its structure (e.g., protein, water, ions, etc.). But sometimes you might want to add custom index groups that we later be useful for analysis or during the simulation (e.g., as pull coordinate groups). You can do this thanks to GROMACS Wizard which allows you to use the extensive selection mechanisms available in SAMSON (see User Guide: Selecting). When dealing with … Continue reading GROMACS Wizard – Adding custom index groups

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