VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Nov 26 2009 - 14:16:26 CST
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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
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