newanalysis.helpers.velcomByResidue

newanalysis.helpers.velcomByResidue(vels, masses, nres, atoms_per_residue)

Calculates the center-of-mass velocities for a given selection.

Note

Don’t call this function directly, use the AtomGroup interface instead! E.g. for an atom selection ‘sel’, call

velcom = sel.velcomByResidue()