From: Huong Vu (
Date: Wed Oct 02 2013 - 12:21:04 CDT


I am trying to use Catdcd to convert a dcd file to xyz.

catdcd -o -otype xyz test.dcd

However I got this:

CatDCD 4.0
Cannot write timesteps in 'xyz' format without structure file.

After trying to add pdb file or psf file to the inputfiles, I still get the
same result. Does that means that I can not convert dcd file to xyz by
Any help is highly appreciated.