Is it important to install gmx_mmpbsa in root

[Cn rahul]

I have gromacs 2018.8 installed in root and source it source /usr/local/gromacs/bin/gmxrc Do i have to install gmx_mmpbsa in root only. 

kindly guide installation commands.

previous intstallation i got error unable to import pyqt5/6 error unable to run gm_mmpbsa_ana

[Cn rahul]

I got the following error while running gmx_MMPBSA_ana

QStandardPaths: runtime directory '/run/user/1000' is not owned by UID 0, but a directory permissions 0700 owned by UID 1000 GID 1000
QStandardPaths: runtime directory '/run/user/1000' is not owned by UID 0, but a directory permissions 0700 owned by UID 1000 GID 1000
ERROR:root:MMPBSA_Error

No info files found!

Check the gmx_MMPBSA.log file to report the problem.
Traceback (most recent call last):
  File "/root/miniconda3/envs/gmxMMPBSA/bin/gmx_MMPBSA_ana", line 8, in <module>
    sys.exit(gmxmmpbsa_ana())
  File "/root/miniconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/app.py", line 139, in gmxmmpbsa_ana
    ifiles = get_files(parser)
  File "/root/miniconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/analyzer/utils.py", line 400, in get_files
    GMXMMPBSA_ERROR('No info files found!')
  File "/root/miniconda3/envs/gmxMMPBSA/lib/python3.9/site-packages/GMXMMPBSA/exceptions.py", line 171, in __init__
    raise exc('\n\n' + msg + '\n\nCheck the gmx_MMPBSA.log file to report the problem.')
GMXMMPBSA.exceptions.MMPBSA_Error:

No info files found!

Check the gmx_MMPBSA.log file to report the problem.

[Mario Ernesto]

gmx_MMPBSA_ana is the visualization tool and without an info file it won't open... In order to verify that gmx_MMPBSA has been installed, try:

gmx_MMPBSA -v

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[Cn rahul]

I got the following after running the command gmx_MMPBSA -V however gmx_MMPBSA_ana failed to initiated. Kindly help what need to be done. Does the amber tool version 20 satisfy. or do in need to update

(gmxMMPBSA) [root@localhost guest]# gmx_MMPBSA -v
[INFO   ] Starting gmx_MMPBSA v1.6.2
[INFO   ] Command-line
  gmx_MMPBSA -v

tets
gmx_MMPBSA v1.6.2 based on MMPBSA version 16.0 and AmberTools 20
(gmxMMPBSA) [root@localhost guest]# 

[marioe911116]

gmx_MMPBSA_ana is the visualization tool and won't initiate at least an info file is present in the folder where you are running the program. Please, try one of our examples and see how it goes:

https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/examples/Protein_protein/