On Tue, Feb 03, 2004, nie beining wrote:
>
> Our system contains one protein molecule and ions in a rectangular box
> containing 4000 water molecules. We ran Sander for a few nanoseconds
> and found that the coodinates of our system were migrating. Therefore,
> we wrote a small Fortran code to transform coordinates back into a
> box.
Note that the "image" command of ptraj also does this tasks.
> However, some mdcrd files gave me the following error message and
> others worked well.
>
> "fmt: read unexpected character
> apparent state: unit 1 named mdcrd.transtest2
> last format: (10F8.3)
> lately reading sequential formatted external IO
> Abort (core dumped)"
>
> What does it mean? I checked the mdcrd files for some "unexpected character"
> and didn't find any. Are there any Amber users who have encountered this
> strange problem?
Since this is your program, it will be hard for us to debug it. Why not
add a line counter, so that you can find out exactly where the program is
when the error occurs?
...good luck...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Tue Feb 03 2004 - 16:53:01 PST
