Hello,
Apply the bug fixes to MMPBSA.py -- you can find these on the website where
you downloaded the source code.
Also make sure that you have the most up-to-date version.
Good luck!
Jason
On Tue, Oct 19, 2010 at 3:22 AM, rameshwar prajapati <
rameshwar.niper.gmail.com> wrote:
> i am using nmode input script as give in tutorial
>
> #####
> Input file for running entropy calculations using NMode
> &general
> endframe=50, keep_files=2,
> /
> &nmode
> nmstartframe=5, nmendframe=45,
> nminterval=5, nmode_igb=1, nmode_istrng=0.1,
> /
> ######
>
> but the following error occur
>
> Assuming /usr/local/amber/amber10/bin/sander is part of
> amber9 or amber10. Using old PB input file.
> Traceback (most recent call last):
> File "/usr/local/amber/amber11/bin/MMPBSA.py", line 732, in <module>
> print >> 'Error: Energy decomposition only works with Amber11 or later
> for MMPBSA.py!'
> AttributeError: 'str' object has no attribute 'write'
>
>
>
> i am working with Amber10 and have installed AmberTools 1.4
>
> please suggest me a solution to this problem
>
>
> --
> With regards,
> RAMESHWAR PRAJAPATI
> DEPT. OF PHARMACOINFORMATICS
> NIPER S.A.S NAGAR (MOHALI)
> 09569089451
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Tue Oct 19 2010 - 08:00:05 PDT
