[AMBER] MMPBSA/ Parmed error

From: Jenny 148 <jenny.rs140.gmail.com>
Date: Wed, 3 Mar 2021 12:09:15 +0530

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
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
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

Jenny R.S
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Received on Tue Mar 02 2021 - 23:00:03 PST
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