Vmd.rmsd.csh
From Rizzo_Lab
##start script #! bin/csh set psf = "filename.psf" set dcd = "filename.dcd" cat << EOF > vmd.rmsd.tcl mol load psf $psf dcd $dcd set outfile [open rmsd.dat w] set nf [molinfo top get numframes] set frame0 [atomselect top "protein and backbone and noh" frame 0] set sel [atomselect top "protein and backbone and noh"] # rmsd calculation loop for { set i 1 } { \$i <= \$nf } { incr i } { \$sel frame \$i \$sel move [measure fit \$sel \$frame0] puts \$outfile "[measure rmsd \$sel \$frame0]" } close \$outfile exit EOF ## run vmd. /nfs/user03/mcgillic/vmd-1.8.6/bin/vmd -dispdev text -e vmd.rmsd.tcl > vmd.rmsd.log exit ##end script