VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed Apr 16 2008 - 11:06:05 CDT

On Wed, 16 Apr 2008, Alessandro Cembran wrote:

AC> Hi,
AC>
AC> Does anybody know if there is a way to set the TITLE of a trajectory, before
AC> saving it as dcd?

the molfile modules in VMD do not support this. you could write your
own little tool (in C) to change the title in the existing file
using the documentation of the dcd file structure in the molfile dcd
plugin source...

cheers,
   axel.

AC>
AC> Thanks,
AC>
AC> Alessandro
AC>
AC> 

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