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Density |
The Density command calculates the mean system density for single topology systems. |
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Energy |
The Energy command calculates the potential energy of the system. |
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FeatureMap |
The FeatureMap command creates a feature map for a given protein structure. |
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Solvator |
The Solvator command adds a box of solvent and optionally couter-ions around a solute. |
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Timer |
The Timer command times the computation of the potential energy and gradient. |
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Volume |
The Volume command calculates the surface area and volume using the GaussVol (default) or Connolly algorithm. |