Re: [AMBER] tinker_to_amber does not work

From: David A Case <dacase.scarletmail.rutgers.edu>
Date: Fri, 16 Oct 2015 11:49:31 -0400

On Thu, Oct 15, 2015, Jason Swails wrote:

> > Test.inpcrd
> > trouble opening key_file

> open(unit=key_unit,file=key_file,status='old',iostat=ios)
> if ( ios /= 0 )then
> write(6,*)'trouble opening key_file ',key_file
> stop
> endif

A clue: note that the error message is supposed to print the name of the key
file right after the "trouble opening key_file" message. But you seem to
have nothing there, which indicates that the program (for some reason) thinks
the name of the key file is "" (blank).

If you don't use the "-key" flag to set the name (or the "-name" flag), you
will get the default name, which is indeed "".

See if this gets you closer to figuring out the problem.

....dac


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Received on Fri Oct 16 2015 - 09:00:05 PDT
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