Hello,
On Sun, Apr 18, 2010 at 3:02 PM, Dima A Sabbah <dsabbah.unmc.edu> wrote:
>
> Dear Jason,
>
>
>
> 1. I did the modification to mm_pbsa.pm according to AMBER archive
> e-mail reply by Mr.Kshatresh Dut ta Dubey on Thursday May 28 2009.
> 2. We patched the bug fix but it didn't work, please let me know what
> can
> we do?
>
"It didn't work" is a very ambiguous problem, one that we have a hard time
tracking down. Is it the same problem. If that's the case, I would suggest
removing all original files associated with your MM/PBSA calculation. The
script appends all additions to each file, so if you did not erase the
original files that mm_pbsa.pl creates, then the same error still exists in
the data even though the bug is no longer present.
Good luck!
Jason
--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Mon Apr 19 2010 - 04:30:02 PDT
