On Wed, 2015-01-21 at 09:31 +0530, Suchetana Gupta wrote:
> Hi Dan
> Thanks for the suggestions. I tried using small residue selections and they
> are working fine in Amber12. But the moment I increase the number of
> residues, the output file doesn't contain the data in the correct matrix
> format. I am sure I am getting 120x120 values, but the output is not in a
> matrix format. I am attaching a screenshot if it helps.
> Any help would be appreciated.
You solved the problem exporting it to a spreadsheet-style format, but
I'll just point out what was happening here. The editor you were using
was employing "wrapping" -- that is, 120 numbers did not fit on a single
line, so it "wrapped" those that wouldn't fit to the next line on the
screen (but *not* the next line in the actual file). If you use the
left and down arrows in an editor like vi or emacs, you can tell where
one line stops and the next starts.
Most editors give you the option to turn *off* wrapping (so the file
scrolls left-and-right as well as up-and-down). Just google your editor
and "turn off wrapping" to look for instructions.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Jan 21 2015 - 05:00:03 PST
