VMD-L Mailing List

From: Nuno Sousa Cerqueira (nscerque_at_fc.up.pt)
Date: Fri Dec 04 2009 - 15:07:32 CST

Hello,

I am running on mac and linux systems.
But the error is giving on the CentOs (linux-64) system.
If you could send me the bug fix I would appreciate a lot .

Regards,

Nuno

On Dec 4, 2009, at 7:54 PM, John Stone wrote:

>
> 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