Hi David,
I loaded theses modules:
module load atlas/3.10.3
module load python/2.7.14
module load amber/18
And then: cat ante-MMPBSA.in
And whn finally I load: ante-MMPBSA.py -p smp-191-mdk0rig.top -c
smp-191mdk-dry.prmtop -r mdk0rig.prmtop -l smp-191mdk.prmtop -s
:148-41708 -m :1-125
appear this error...
Myriam
David A Case <david.case.rutgers.edu> escribió:
> On Mon, Oct 26, 2020, MYRIAN TORRES RICO wrote:
>>
>> I want to launch ante-mmpbsa.py but this error appears:
>>
>> Traceback (most recent call last):
>> File "/apps/AMBER/18/GCC/OPENMPI/bin/ante-MMPBSA.py", line 12, in <module>
>> (amberhome, amberhome))
>> ImportError: Could not import Amber Python modules. Please make sure
>> you have sourced /apps/AMBER/18/GCC/OPENMPI/amber.sh (if you are using
>> sh/ksh/bash/zsh) or /apps/AMBER/18/GCC/OPENMPI/amber.csh (if you are
>> using csh/tcsh)
>
> Can you confirm that you perfomed the steps requested above? What is
> the result of typing "echo $PYTHONPATH" (after the above step)?
>
> ....dac
>
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Received on Mon Oct 26 2020 - 11:00:03 PDT
