> No blank line before the one starting with #, and formatting was exactly as in
> tutorial 1B. Now corrected by adding a comma after 300.0 (I find this curious
> because I was able to run that tutorial 1B).
>
> On trying to run sander, same error. Attached is the out file. Of course the
> mdcrd file was not generated.
Looking at this output file with "od -c" (octal dump as chars) shows that
in the mdin file are characters 302 and 240 at the start of each line. In
my emacs view of the file, it looks like a A with a hat (^) character
(similar to the character for Angstroms). Perhaps your cut and paste is
adding spurious characters. I would edit the "mdin" file to remove these
spurious characters...
-- tec3
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Received on Wed Jul 11 2007 - 06:07:34 PDT
