[AMBER] kindly help with this mmpbsa.py.MPI error

From: Gargi Bhattacharya <gargibhattachaarya.gmail.com>
Date: Tue, 25 May 2021 16:14:01 +0530

I recently installed Ambertools21 and getting this error -

home/gargi/amber16/amber16/lib/python2.7/site-packages/parmed/utils/
netcdf.py:755
<https://www.youtube.com/redirect?event=comments&redir_token=QUFFLUhqbnFPLVZWNDY0N2FMRHlyYmNrYmE0QU9qQnkzUXxBQ3Jtc0tsM2owYUtkeUo3bzlrT3dVSFRvYUFvNWoyY0FrUzRvQ21WRzdDYnM5Ymg5Q2FpV3VGVjhYZG5RbnY4U1ZvaHhIQ0JKWGZGb0ZSQlZXTEx2V1ZnSDB1N3p6MlJJTE91a1hFSDdsd0dITllicW0ySG5pVQ&q=http%3A%2F%2Fnetcdf.py%3A755%2F&stzid=Ugz42xfjhfwmyaPmkGR4AaABAg.9Ne5NV6hA4z9Nl7E-_kHgR>:
SyntaxWarning: "is not" with a literal. Did you mean "!="? if typecode is
not 'c': Traceback (most recent call last): File
"/apps/compile/amber20_src//bin/MMPBSA.py.MPI", line 41, in <module> from
MMPBSA_mods import main File
"/home/gargi/amber16/amber16/lib/python2.7/site-packages/MMPBSA_mods/main.py
<https://www.youtube.com/redirect?event=comments&redir_token=QUFFLUhqblRDQ2N4QUhQck1yS2NVd2xXZmJxRnl5cEZ6Z3xBQ3Jtc0tsY3plN2V6S09nOWw4cFRYSzhTelY0N1ViQmhocTI2ZG5KNjI0Zl9LcEhzTE14cnB1bFRkdllrbEVULU4yZ1lsOC1JdW4zUGctd0p3N1h0Zy1oaWtldW5XUlNMb0V6akJ5N19iNy1ZQi1HTEV6V2hvNA&q=http%3A%2F%2Fmain.py%2F&stzid=Ugz42xfjhfwmyaPmkGR4AaABAg.9Ne5NV6hA4z9Nl7E-_kHgR>",
line 47, in <module> from MMPBSA_mods.findprogs import find_progs File
"/home/gargi/amber16/amber16/lib/python2.7/site-packages/MMPBSA_mods/
findprogs.py
<https://www.youtube.com/redirect?event=comments&redir_token=QUFFLUhqbTI5Nk9pN0NoNU50MmdLbEVxUm1xRFlFak14d3xBQ3Jtc0tsVThJTnFZTWNJSklkc09ZWF9fS1FvdHh2YTZNWlBQVXBNYk5tMVNLY1k1NWZMTEZQVG1HRGhDZWtVQ0E2VThVVlZxOElIZWltREkzVWZpS3FzeWtVU1VySk16cGNNN3k5WWJpNlhnTnR1bmhiWFRmbw&q=http%3A%2F%2Ffindprogs.py%2F&stzid=Ugz42xfjhfwmyaPmkGR4AaABAg.9Ne5NV6hA4z9Nl7E-_kHgR>",
line 42 print '%s found! Using %s' % (prog, str(my_progs[prog])) ^ SyntaxError:
invalid syntax


was using Amber16 , previously

Kindly Help.






With Regards
Gargi Bhattacharya
Research Scholar (PhD)
Indian Institute of Information Technology Design and Manufacturing
(An Institute of National Importance, est. By MHRD, New Delhi)
Airport Road,Dumna
Jabalpur, M.P. 482005
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Received on Tue May 25 2021 - 04:00:02 PDT
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