VMD-L Mailing List

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Wed Jun 14 2017 - 04:42:40 CDT

Hi!

if you would like to call Tcl commands, you probably have to write a
separate script and run it using

vmd -e myscript.tcl

Best,
Ajasja

On 14 June 2017 at 10:26, János Szövérfi <johhnnyblack_at_gmail.com> wrote:

> Hi!
>
> I'm writing a bash script which executes a vmd/tcl script.
> My problem is that i want to execute the CG builder within the script :
>
> "#!/bin/env wish
> .....
> ::cgnetworking::networkCGMolecule puts 0 BAR A cg_monomer.pdb
> aa_ref_monomer.pdb cg_monomer.top cg_monomer.par 15 3000 0.3 0.05 1.0 0.01
> 1 10.0 -1
> ...."
>
> However when I run the script it doesn't recognize the command: invalid
> command name "::cgnetworking::networkCGMolecule"
>
> I think that the problem is the "puts" command, which is also tcl
> command.
>
> Is there a way to escape the puts or what could be the solution?
>
> Thanks
>
>
>