VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Fri Apr 13 2007 - 21:26:57 CDT

Could you post the xyz file you're having trouble with? Where did you
get it from?
Peter

Ekta Khurana wrote:
>
> 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