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Amber-MD / cpptraj

Biomolecular simulation trajectory/data analysis.
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Implement ability to calculate vector magnitude in 'vectormath' command. #1105

Closed drroe closed 1 month ago

drroe commented 1 month ago

Version 6.29.3. Adds the 'magnitude' keyword to the 'vectormath' analysis command, allowing calculation of magnitudes from vector data. Also adds the 'magnitude' keyword to readdata vector to allow reading of a magnitude column when reading in vector data. Adds a test, updates the manual.