From: Axel Kohlmeyer (
Date: Sun Jun 20 2010 - 08:25:03 CDT

> Curiously, while this worked well for 2 of my dcd files, for another dcd
> file corresponding to a latter part of the timeline for the same simulation,
> this does not work!! I am getting the foll. error message:
> Info) Opened coordinate file namd-temp.pdb for writing.
> ERROR) write_timestep returned nonzero
> Info) Finished with coordinate file namd-temp.pdb.
> atomsel: writepdb failed.
> However, the namd-temp.pdb is written out.

but is it complete?

> Can someone help me zero in on the problem here?

sounds a lot like you are running out of disk space
or quota. alternatively, it could be a hardware failure
of the disk that is being written to.


> Thanks in advance,
> Neelanjana Sengupta

Dr. Axel Kohlmeyer
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.