VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu Jul 19 2007 - 06:14:19 CDT

On Wed, 18 Jul 2007, Neelanjana Sengupta wrote:

NS> Hi VMD experts,
NS>
NS> I need to select certain frames (based on some physical criteria of the
NS> system) of my .dcd file, and write out a new .dcd file from those frames,
NS> which are NOT continous. (For eg., I need to write frames 2-8, 10, 15,
NS> 25-30, 74-89 into a single .dcd file, from a 100 frame trajectory). Can
NS> somebody suggest a method to do this?

very simple: load the 100 frame trajectory. delete the frames you don't
want (either with the animate command or from the GUI, note that you
should delete 'from the end' or else the numbering will change) and
write the remaining frames to a new file (again either with animate
write or from the GUI).

cheers,
   axel.

NS>
NS> Thank you in advance,
NS> Regards,
NS> Neelanjana Sengupta
NS>
NS> --
NS> 

-- 
=======================================================================
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.