VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Dec 15 2010 - 16:25:24 CST

Hi,
  The output you got from the DCD plugin indicates that your
trajectory file isn't written according to any of the normal
DCD file formatting conventions. What exact version of CHARMM
wrote the file, and how was it compiled?
(32-bit or 64-bit, little endian or big endian CPU, etc)
Please send me a copy of a small gzipped version of your
CHARMM MC trajectory file along with your structure files
and I'll have a closer look at it.

Cheers,
  John

On Wed, Dec 15, 2010 at 12:11:46PM +0530, Ramya Narasimhan wrote:
> I have a MC trajectory file which is an output from CHARMM. I can't load
> the dcd file in the VMD. It is giving an error as
>
> dcdplugin) unrecognized DCD header:
> dcdplugin) [0]: -1543503872 [1]: 1146244931
> dcdplugin) [0]: 0xa4000000 [1]: 0x44524f43
> dcdplugin) read_dcdheader: corruption or unrecognized file structure
> ERROR) Could not read file /home/ramya/charmm-mc/mc1.dcd
>
> I checked in CHARMM the way of writing trajectory and it seems to be ok. I
> removed the DCD header using fixdcd, but still it is not opening in VMD.
> Can it be loaded in VMD?
>
> Thanks in advance for any comments/suggestions.
> --
> Ramya.L. 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
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