rmsd_matrix 1.0
---------------
NAME
rmsd_matrix - calculates a matrix of rmsd between each given
frame in a trajectory
SYNOPSIS
rmsd_matrix -mol [top] -seltext [backbone] -frames [all]
-fit [backbone] -o
DESCRIPTION
This VMD script calculates the RMSD between every given frame in a
trajectory and saves it to a file, which you can plot with your
favorite program. By default, the rmsd is calculated based on the
backbone. An initial least-squares fit of all given frames with
respect to the first given frame is always performed, unless the
option '-fit none' is used. By default, the initial fitting is
based on the backbone.
-mol
molid (default: top)
-seltext
an atom selection to calculate the rmsd is generated based on
this option (default: backbone)
-frames
frames used in the analysis, following the common syntax used
in VMD: <begin:end> or <begin:step:end> or all or now
(default: all)
-fit
a least-squares fit is performed by default, using an atom
selection generated based on this option (default: backbone);
to disable the initial fitting, use -fit none
-o
output file name (if not specified, data is printed on the
screen)
DOWNLOAD THE FILE:
rmsd_matrix.tcl
AUTHOR:
Leonardo Trabuco (ltrabuco@ks.uiuc.edu)