VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jan 02 2004 - 14:34:07 CST

Mauricio,
  Interesting, that's odd. Perhaps you found a bug in that version
of Charmm. I'd send a note to the Charmm guys and see if anyone else
has seen that type of problem before. If its an alpha/beta version, then
you'll definitely want to tell them about it so they can fix the problem
before they release the next version. I don't have much personal experience
with running Charmm jobs, so I'd say that talking to the Charmm developers
is your best bet.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Jan 02, 2004 at 03:27:06PM -0500, Mauricio C. Tripp wrote:
> John,
>
> I'm sorry, something definitely went wrong with charmm,
> in the output file it skiped 69 output steps and there's
> garbage in its place (as if the file was binary) and it
> corresponds to where VMD finds the error format. After that
> everything seems fine, so it is like if charmm did something
> wrong while writing to files for a while and then came back
> to normal... have you heard anything like that before?
>
> sorry for the trouble...
>
> Mauricio Carrillo Tripp 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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