VMD-L Mailing List

From: Nuno Sousa Cerqueira (nscerque_at_fc.up.pt)
Date: Thu Nov 26 2009 - 11:53:58 CST

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