On Mon, Jan 13, 2014, Saeed Nasiri wrote:
> cat md2.x
>
> default_name
>
There should not be a blank line here...not clear if that is because the mail
program put one in or not...
> 2258 0.9528000E+04
> 22.4789859 -6.9066054 27.7272280 25.9929062 9.8974097 5.2090811
...
> -3.1183345 14.6831498 -4.6327208 -2.6006906 13.8598976 -3.9722549
> -2.4528874 15.5737487 -4.8909085 -4.0162814 15
The file seems to be truncated incorrectly: since you have 2258 atoms, you
should have 2258/2 lines of coordinates, and you have many fewer than this.
There is no way to repair this: you will need to try to figure out how this
happened, or just re-run the step that created md2.x.
...dac
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Received on Mon Jan 13 2014 - 05:30:04 PST
