Dear all,
I had recently started using AMBER 18 in our new system. Everything worked
fine so far. But today when I tried to use MMPBSA.py, I get the following
error:
raceback (most recent call last):
File "/apps/amber18/bin/MMPBSA.py", line 41, in <module>
from MMPBSA_mods import main
File "/apps/amber18/lib/python3.7/site-packages/MMPBSA_mods/main.py",
line 43, in <module>
from MMPBSA_mods.createinput import create_inputs
File
"/apps/amber18/lib/python3.7/site-packages/MMPBSA_mods/createinput.py",
line 43, in <module>
from parmed.amber.mdin import Mdin
ModuleNotFoundError: No module named 'parmed'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/apps/amber18/bin/MMPBSA.py", line 48, in <module>
(amberhome, amberhome))
ImportError: Could not import Amber Python modules. Please make sure you
have sourced /apps/amber18/amber.sh (if you are using sh/ksh/bash/zsh) or
/apps/amber18/amber.csh (if you are using csh/tcsh).
I did source /apps/amber18/amber.sh
Even then I am repeatedly getting the same error. Kindly help how to solve
this.
--
Jenny R.S
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Received on Tue Mar 02 2021 - 23:00:03 PST
