[AMBER-Developers] Tests Errors in AmberTools

From: Claudia Ramírez <claudia.lilian.ramirez.gmail.com>
Date: Wed, 8 Jun 2016 13:17:26 -0300

Hi everyone,

I did a git pull on Monday (June 6), with gnu 4.8 compilers and doing just
./configure gnu (serial for now) in Ubuntu 14.04 LTS. And it has 4 tests on
AmberTools that aren't working (this is without my modifications), and I
don't know why. I'm attaching the log file to see if anyone could help me
make it work.

I'm having troubles with pytraj (ImportError: No module named pytraj), and
the QM/MM periodic interface with PM3-PDDG gives me the same error twice
(Unknown method specified for qm_theory). And there is also another error
related with the QM/MM non-periodic interface and the definition of one of
my variables that didn't happen in the last version.



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Received on Wed Jun 08 2016 - 09:30:03 PDT
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