From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Dec 04 2009 - 10:43:25 CST

Hi,
  I'm forwarding your note to one of the people I know at D. E. Shaw,
hopefully they'll be able to help you, but I suspect you're going to
need to provide much more information, such as what error message you're
getting, etc.

Cheers,
  John Stone
  johns_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
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