VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu Sep 04 2008 - 12:06:44 CDT

On Thu, 4 Sep 2008, Emily Moore wrote:

EM> Hello,
EM>
EM> Iım using VMD to calculate the RDF for many frames of trajectory using a tcl
EM> script. I was wondering if there was a way to run these calculations without
EM> actually opening the interface. Iıve looked around but havenıt found a way
EM> yet.

hello emily,

you probably have not looked far enough. you can run vmd
scripts from the commandline with "vmd -e script.tcl"
and you can run in text mode by adding "-dispdev text",
or "-dispdev none". if you want to have vmd exit at the
end of the script, you can just add a "quit" as the last
command.

cheers,
   axel.

EM>
EM> Thanks,
EM>
EM> ~ Emily Moore
EM> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.