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] -oDESCRIPTION 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)