Hi,
On Tue, May 25, 2021 at 6:44 AM Gargi Bhattacharya
<gargibhattachaarya.gmail.com> wrote:
> home/gargi/amber16/amber16/lib/python2.7/site-packages/parmed/utils/
Seems like you've still got Amber/AmberTools 16 in your
PATH/PYTHONPATH. Make sure you source the amber.sh from your
AmberTools 21 directory, not the AmberTools 16 directory.
-Dan
> 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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> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
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Received on Tue May 25 2021 - 07:00:03 PDT
