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Amber-MD / cpptraj

Biomolecular simulation trajectory/data analysis.
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Add 'byfac' keyword to change mass/charge command #1079

Closed drroe closed 6 months ago

drroe commented 6 months ago

Adds byfac keyword to multiply charges/masses by a factor.

change
  {mass|charge} [of <mask>] {to <value> |by <offset> |
                             byfac <factor> |fromset <data set>} |

Updates manual, adds a test.