VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jan 02 2004 - 13:05:17 CST
- Next message: John Stone: "Re: Cartoon representation for large molecules"
- Previous message: Mauricio C. Tripp: "dcd reading error"
- In reply to: Mauricio C. Tripp: "dcd reading error"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Mauricio,
The "-6" means that one of the internal routines in the DCD reader
plugin encountered a frame that contains data that doesn't match the
format that the plugin is expecting. The "-6" is the plugin's internal
"DCD_BADFORMAT" error code. What version of Charmm generated
the DCD file that's causing you trouble? If you can tell me the Charmm
version number as well as whether its the commercial or academic variant
(they have been known make slightly different output files) that would be
helpful to me. Have you successfully read this trajectory into any other
software? How large is the trajectory file? If its reasonably sized,
it might be worth posting it so I can try loading it here as well for
further debugging.
Thanks,
John Stone
vmd_at_ks.uiuc.edu
On Fri, Jan 02, 2004 at 12:23:08PM -0500, Mauricio C. Tripp wrote:
> Hi,
>
> I'm trying to read a DCD file from charmm which I know it has 1000
> frames in it but VMD only reads 32 and gives me an error message
>
>
> Info) Using plugin dcd for coordinates from file
> /home/trippm/proj001/B/equil-03.dcd
> read_dcdstep returned -6
> Info) Finished with coordinate file /home/trippm/proj001/B/equil-03.dcd.
>
> What doest it mean? How can I fix it?
> Thank you.
-- 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 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
- Next message: John Stone: "Re: Cartoon representation for large molecules"
- Previous message: Mauricio C. Tripp: "dcd reading error"
- In reply to: Mauricio C. Tripp: "dcd reading error"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]