VMD-L Mailing List

From: Ekta Khurana (ekta_at_vitae.cmm.upenn.edu)
Date: Fri Apr 13 2007 - 16:08:51 CDT

  Hi, I am trying to convert xyz file to dcd file using catdcd using the
command "./catdcd -o try.dcd -xyz try.xyz" but I get
this message:
.........................................
CatDCD 4.0
Opening file 'try.dcd' for writing.
Opened file 'try.xyz' for reading.
xyz timestep) missing type or coordinate(s) in file 'try.xyz' for atom
'1407'
Read 0 frames from file try.xyz, wrote 0.
Total frames: 0
Frames written: 0
CatDCD exited normally.
......................................

   I have 1408 atoms. I can convert the xyz to dcd using vmd interface but
not using catdcd. If I generate xyz file back from dcd using vmd(save
coordinates) and try
to convert it back to dcd using catdcd, I get the same message. So seems
like it's a problem with catdcd plugin. As I wnat to use catdcd for the
conversion, any help would be appreciated.

Thanks,
Ekta

............................
Ekta Khurana
Center for Molecular Modeling
Department of Chemistry
University of Pennsylvania
Phone: (215) 573-8697
Fax: (215) 573-6233