VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Dec 04 2009 - 13:54:38 CST

Hi,
  I got a dtrplugin bug fix from our colleagues at D.E. Shaw Research,
and I should be able to make new plugins containing this fix available
soon. What platform(s) are you running on?

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Dec 03, 2009 at 11:43:02PM +0000, Nuno Sousa Cerqueira wrote:
> Hello,
>
> I am still having problems in readinf desmond trajectories using a
> script.
> my code is like this:
>
> # load Maestro File
> puts "\n####### Loading Maestro File ...."
> mol new $lambdaDirectory/$rootFile-in.cms waitfor all
> display update ui ; # update vmd view
>
> #load trajectory dtr
> puts "\n####### Loading Desmond trajectory ....."
> mol addfile [pwd]/$lambdaDirectory/$rootFile\_trj/clickme.dtr
> waitfor all molid top
> display update ui ; # update vmd view
>
>
> is this the best way to load the trajectory?
> Something it complains about a missing file. It seems that there is a
> problem in reading the directory scheme where the trajectory files are
> stored.
>
> Any idea.
>
>
> Regards, Nuno 

-- 
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