VMD-L Mailing List

From: Joshua Skootsky (joshua.skootsky_at_gmail.com)
Date: Thu May 15 2014 - 19:55:26 CDT

Is there a reason you can't load and analyze the 30 different trajectories
separately?

You can write a shell script that does it sequentially.

this is especially easy if the names of your trajectories are chosen
sequentially.

For example:

#!/bin/bash

for i in `seq 0 29`; do

        vmd /path-specific/to-you/*/*$i*.dcd /other/path/file.psf -dispdev
text -eofexit -e distance.tcl -args *$i*

done

The -args flag allows you to pass the looping variable to your distance.tcl
script, using the Tcl $arvg system variable:

For example:

set myoutput *"system.**$argv**.output"*

*...*

set outfile [open *$myoutput* a+ ]

puts *$outfile* *"$your $output $variables**"*

close *$outfile*

..

quit

On Thu, May 15, 2014 at 7:40 PM, Ozgun Kirker (Student) <
okirker_at_sabanciuniv.edu> wrote:

> Hi everyone,
>
> I am trying to use bigdcd.tcl and distance.tcl to analyze 30 different
> trajectories at once, I did read everything I found on both mailing list
> and google but still managed to fail.
> Can anyone please explain me how to use these 2 scripts simultaneously?
>
> Thanks in advance.
> 

-- 
Joshua Skootsky
(415) 683-9354 | joshua.skootsky_at_gmail.com