AnalyseNAMDMetaDwithVMD.tcl

mol new "../../ionized.psf"
mol addfile "../1KLM_metad.dcd" waitfor all
cv molid 0
#cv configfile "MetaDynamics_wRMSD.in"
cv configfile "TTT.in"
set numFrames [ molinfo 0 get numframes ]
for { set frame 0 } { $frame < $numFrames } { incr frame } {
     animate goto $frame
     cv frame $frame
     cv colvar "CNUM" update
     set colvarValue [ cv colvar "CNUM" value ]
#     cv colvar "COMDistance" update
#     set colvarValue [ cv colvar "COMDistance" value ]
     puts "Frame: $frame; Colvar: $colvarValue"
}
exit