VMD-L Mailing List

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Wed Jul 28 2010 - 05:04:28 CDT

I think this usually means that you have a strange puts statement somewhere.
The channel is referring to the channelId (more info on puts
here<http://www.astro.princeton.edu/~rhl/Tcl-Tk_docs/tcl/puts.n.html>
).

Regards,
Ajasja

On Wed, Jul 28, 2010 at 11:14, Asmaa Elsheshiny <pyaaea_at_leeds.ac.uk> wrote:

> Dear community,
>
> I have some diffculties in running a script in vmd, to display the dipole
> vector for each frame of my protein. After running the script in dipole.tcl,
> i got this error message
> can not find channel named "-29.5305614471 27.6423969269 8.45355415344"
>
> My script is as follow.
>
> set molid 0
> set frame [molinfo $molid get frame]
> if {[info exists dipdata($frame)]} then {
> 9
> Visualization and Analysis of Quantum Chemical and Molecular Dynamics
> Data with VMD
> if {[info exists dipgraph]} then {
> foreach g $dipgraph {
> graphics $molid delete $g
> }
> }
> graphics $molid color yellow
> lassign $dipdata($frame) cnt vec
> #
> scaling res radius
> set dipgraph [vmd_draw_vector $molid $cnt $vec 100000.0 10
> 0.08]
> }
> }
> #estimate the dipole moment
> set sel [atomselect 0 "not name X"]
> set n [molinfo 0 get numframes]
> for {set i 0} {$i < $n} {incr i} {
> # advance selection to the current frame and update.
> $sel frame $n
> $sel update
> set dipdata($i) [list [measure dipole $sel -debye -masscenter] [gets
> $dip]]
> }
> close $dip
>
> # connect to vmd_frame
> trace variable vmd_frame(0) w do_dipdraw
> animate goto 0
>
> I am not familiar with TCL language, so I was trying to modify the script
> given by axel's tutorial
> Visualization and Analysis of Quantum Chemical and Molecular Dynamics Data
> with VMD
>