I have checked the codes in AmberTools 13, 15 and 16, they are
basically the same in this part.
2016-06-23 22:17 GMT+08:00 Daniel Roe <daniel.r.roe.gmail.com>:
> 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)
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
Dr. Xiao-Lei Wang
Department of Bioinformatics & Biostatistics
College of Life Science & Biotechnology
Shanghai Jiao Tong University
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Received on Thu Jun 23 2016 - 08:00:03 PDT
