Re: [AMBER-Developers] Tests Errors in AmberTools

From: Hai Nguyen <>
Date: Wed, 8 Jun 2016 12:41:00 -0400


Per pytraj issue,

can you see its folder in $AMBERHOME/lib/python2.7/site-packages/pytraj
 (if you are using python2.7)

Also, can you try

cd $AMBERHOME/AmberTools/src/
rm -rf pytra/build
make pytraj -j8

Let me know if pytraj is successfully built or not. thanks


On Wed, Jun 8, 2016 at 12:17 PM, Claudia Ramírez <> wrote:

> 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.
> Thanks,
> Claudia
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Received on Wed Jun 08 2016 - 10:00:03 PDT
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