VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Mar 22 2006 - 10:23:41 CST

Hi,
  The VMD DCD plugin (as well as the others) is made available
with the UIUC Open Source license, so you can just use our DCD
reader code if you like. Even if you prefer to write your own,
you might save yourself a lot of time and energy by reading ours:
  http://www.ks.uiuc.edu/Research/vmd/plugins/doxygen/dcdplugin_8c.html

The source is available by CVS if you're interested.

  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Mar 23, 2006 at 12:16:44AM +0800, Lin wrote:
> Hi all,
>
> I am writing a dcd file reader, i can successfully read
> in the atoms into my system, however i am not able to
> categorise the atoms into different frames/timestep. Does
> anyone has any idea why? Also, my simulation is supposed
> to contain fixed atoms. However, after reading the
> header, my nfixed atoms variable is found to be 0. Does
> anybody have any idea why? My dcd file is generated with
> NAMD Version 2.6b1.
>
> thanks a lot!
>
>
>
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-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078