VMD-L Mailing List

From: Hamsa Priya Mohana sundaram (mhamsapriya_at_gmail.com)
Date: Fri Sep 08 2006 - 09:44:45 CDT

Hi all,

    I am trying to use bigdcd script for loading large dcd files for
analysis in vmd.
As a test run, i am trying to writedown box dimension from
test.dcdcontaining 5 frames.
When i run the tcl script (attached with this mail) in Linux: text mode the
following way

" > vmd -dispdev text
  vmd > source boxbig2.tcl "

i am able to write down the box dimensions for all frames.
However when i try to run it as a batch job, my output file contains only
the dimensions
corresponding to first frame. I used the following command in my PBS script
for executing the tcl script

"vmd -dispdev text -eofexit < boxbig2.tcl > box.log"

Could anyone please tell me what is the mistake?

Thanks
Hamsa