VMD-L Mailing List
From: Justin Gullingsrud (justinrocks_at_gmail.com)
Date: Mon Nov 30 2009 - 16:35:13 CST
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Nuno,
Did you get this figured out? If not, could you post the Tcl command
you used? The timekeys file is a file that should be found at
hA0A1a_DESfep01_solvent_10_lambda2_trj/timekeys, assuming the
trajectory was created properly and managed to write at least one
frame. Could you post the contents of that directory as well?
Cheers,
Justin
On Thu, Nov 26, 2009 at 3:16 PM, John Stone <johns_at_ks.uiuc.edu> wrote:
>
> Hi,
> I'm not sure what might cause the error you're getting,
> the best thing would be for you to contact the Desmond team
> as they developed the dtrplugin for VMD. If you aren't able to
> get into contact with them, let me know and I can ask the people
> I know if they can answer this question.
>
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Thu, Nov 26, 2009 at 05:53:58PM +0000, Nuno Sousa Cerqueira wrote:
>> I am having the following error while running a tcl script that loads
>> desmond trajectory into VMD:
>>
>> Info) Finished with coordinate file hA0A1a_DESfep01_solvent_10-out/
>> fep1/hA0A1a_DESfep01_solvent_10_lambda2/
>> hA0A1a_DESfep01_solvent_10_lambda2-out.cms.
>> Info) Analyzing structure ...
>> Info) Atoms: 2287
>> Info) Bonds: 1536
>> Info) Angles: 0 Dihedrals: 0 Impropers: 0 Cross-terms: 0
>> Info) Bondtypes: 0 Angletypes: 0 Dihedraltypes: 0 Impropertypes: 0
>> Info) Residues: 754
>> Info) Waters: 752
>> Info) Segments: 3
>> Info) Fragments: 754 Protein: 1 Nucleic: 0
>> Could not find timekeys file at /timekeys
>> ERROR) Could not read file hA0A1a_DESfep01_solvent_10-out/fep1/
>> hA0A1a_DESfep01_solvent_10_lambda2/
>> hA0A1a_DESfep01_solvent_10_lambda2_trj/clickme.dtr
>> Unable to load file 'hA0A1a_DESfep01_solvent_10-out/fep1/
>> hA0A1a_DESfep01_solvent_10_lambda2/
>> hA0A1a_DESfep01_solvent_10_lambda2_trj/clickme.dtr' using file type
>> 'dtr'.
>> Info) VMD for LINUXAMD64, version 1.8.7 (August 1, 2009)
>>
>>
>> Does anyone has an idea what , the ERROR : Could not find timekeys
>> file at /timekeys, means ?
>>
>> Regards,
>>
>> Nscerqueira
>
> --
> 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
>
-- I speak of certain afternoons in early fall, waterfalls of immaterial gold, the transformation of the world, when everything loses its body, everything is held in suspense, and the light thinks, and each one of us feels himself thought by that reflective light, and for one long moment time dissolves, we are air once more... -- Octavio Paz, "I speak of the city"
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