Not sure if it's a bug, but considering that AmberTools 13 is 3 years
old you may want to first try upgrading to AmberTools 16. There have
been numerous fixes and enhancements since version 13.
-Dan
On Thu, Jun 23, 2016 at 6:38 AM, Xiao-Lei Wang <thundawner.gmail.com> wrote:
> Dear Amber group,
>
> I am using amber12 and ambertools13 with the latest updates. I
> performed an nmode entropy calculation using MMPBSA.py, and got an
> error message of " 'list' object has no attribute 'avg' " in line 1240
> of amber_outputs.py. After reading the codes under the
> $AMBERHOME/bin/MMPBSA_mods directory, I found that the
> BindingStatistics.diff() function in amber_outputs.py did not check
> the self.missing_terms flag, unlike other print_xxx() functions in
> class BindingStatistics, which may cause the problem I met, because
> self.data[key1] and other.data[key2] may not belong to class
> EnergyVector, e.g. when the SingleTrajBinding.delta2() returns a list
> in my case. Is this a bug?
>
> Best regards,
> Xiao-Lei Wang
>
> --
> Dr. Xiao-Lei Wang
> Department of Bioinformatics & Biostatistics
> College of Life Science & Biotechnology
> Shanghai Jiao Tong University
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Thu Jun 23 2016 - 07:30:02 PDT
