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From: Mauricio C. Tripp (trippm_at_wabash.edu)
Date: Fri Jan 02 2004 - 13:48:06 CST
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Hi Jonh,
>===== Original Message From John Stone <johns_at_ks.uiuc.edu> =====
>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.
Well, I wouldn't be surprised if it's a charmm bug, although the DCD file
that's giving me trouble is the third 'piece' of a long simulation,
VMD can read the first two DCD files, generated the same way...
>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.
(CHARMM) - Developmental Version 29b1 August 15, 2002
as from the output file...
I beleive is the academic version, but since I didn't install it I'm
not 100% sure, is there a way to find out?
>Have you successfully read this trajectory into any other
>software?
No, what else can I use to read it, do you know? (I'm new with charmm)
>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.
>
the file is 210 Mb, so probably it's to big to post it
Thank you,
Mauricio
>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
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