On Wed, Sep 14, 2011 at 9:52 PM, Jesper Soerensen <lists.jsx.dk> wrote:
> Hey all,
>
> I am running an alanine scanning calculations with the new 3DRISM
> solvent model. I have used default settings.
>
> The error I get is this:
>
> getpdb: can't open file _MMPBSA_mutant_complex.pdb
>
> close failed in file object destructor:
>
> IOError: [Errno 9] Bad file descriptor
>
>
This is a bug. Please see the attached bugfix. You could either apply it
by hand if you know how to read patch files (and even if you don't, it's not
a very difficult format to learn) or apply it with the command:
patch -p0 -N < bugfix.17
while you are in AMBERHOME. The fix is, I would say, less than a 1-liner.
Let me know if this fixes things.
Thanks for the report!
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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- application/octet-stream attachment: bugfix.17
Received on Wed Sep 14 2011 - 19:30:02 PDT
