[Users-list] a2k and k2a problem
Paolo Benedetti
pb at moldiscovery.com
Mon Jan 2 17:08:40 CET 2006
sisaym at smail.uni-koeln.de wrote:
> Hello,
> I am getting problem while using the utility programs a2k and k2a.
>
> I get the following message for a2k:
> "WARNING:
> Missing or incorrect record in your input file, at
> or near line: 11
> Please make certain that nobody has edited the file
> without telling you! Also check to be sure that the
> input file was written by a Version of Programme K2A
> which is compatible with this Version of Programme A2K."
>
> and for k2a:
> "Missing or incorrect first record in your input file.
> Please make certain that directive LIST was set equal
> to 1 when you ran Programme GRID. Also check to be
> sure that the variables which are output from Subroutine
> DRITE1 of Programme GRID, exactly match the corresponding
> variables which are read by this Program."
>
>
> I am also unable to see any field after i run grid with readable ascii output
> option enabled, but the file is in readable format(with coordinates and energy
> values).
>
> Any help
> Thank you
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Hello Sisay,
it's very difficult for me to try to help you without the input files
you are attempting to convert... could you please send them to me?
In the meantime I'm also curious to know what are you trying to do
with those converters? I mean, those tool are heritages of previous
versions (and are also destined to disappear in future), currently with
the GUI "Greater" it's very easy to select the preferred output style,
binary or ascii, so why don't you directly ask the program to produce
your preferred output format files?
For what concerns the possibility to visualize fields using ascii
output files, well in the above mentioned GUI (just press "Help" button
in the lower-right part of the "Run..." dialog) it's pretty clearly
reported the fact that GRID can produce either "visualizable" or "human
readable" output files.
Looking forward to hearing from you,
Paolo
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