crdaction

Run a single Action on a COORDS set.

crdaction <crd set> <actioncmd> [<action args>] [crdframes <start>,<stop>,<offset>]

Perform action <actioncmd> on COORDS data set <crd set>.

A subset of frames in the COORDS data set can be specified with crdframes.

For example, to calculate RMSD for a previously created COORDS data set named crd1 using frames 1 to the last, skipping every 10:

crdaction crd1 rmsd first @CA out rmsd-ca.agr crdframes 1,last,10