VMD-L Mailing List

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Thu Mar 20 2008 - 10:38:50 CDT

On Thu, Mar 20, 2008 at 8:57 AM, Simpson, Lisa M <lmsimp_at_essex.ac.uk> wrote:
>
> Dear VMD users,

Dear Lisa

>
> I am trying to run the script ca-dist.tcl from the archive http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/ca-dist-v2.0/
> I am unfamiliar with running scripts from the command line and thus am having trouble.
>
> Could someone please tell me how the proper commands to use to use this script?
>
> I have been doing the following:
>
> First I loaded my psf and dcd file through the open GL viewer as one molecule.
>
> Then in the vmd script window I have executed:
>
> vmd > set a [atomselect top "index 1014"]
> vmd > set b [atomselect top "index 947"]
> vmd > source ca-dist.tcl
> vmd > ca-dist a b

when you run the script (last line), try "ca-dist $a $b". This should
do the work.

Cheers,
Michel

>
> I keep getting the error invalid command name.
>
> If someone could tell me how to load the script correctly it would be greatly appreciated.
>
> Many thanks.
>
> Lisa.
>
>
>