The following error is coming while performing Molecular Dynamics in gromacs while running cgenff script. Numpy and networkx are already installed. Kindly suggest resolve the error
The screenshot of the error is attached
Thank You
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Dear Prabhjot Singh ,
This problem arises due to the incompatible version of python installed while generating ligand topology using cgenff. Hence try installing the compatible versions, such as python 3.5 or 3.7.
Try this Script"
apt-get install python3.5
pip uninstall pip
wget https://bootstrap.pypa.io/pip/3.5/get-pip.py
python3.5 get-pip.py
pip -V
pip install numpy
pip install networkx==2.3
pwd
Sivasakthi Paramasivam sir I have tried python 3.5, 3.6, and 3.7 as well but the problem is still persisting
Prabhjot Singh sir, try downgrade networkx module to 2.3
pip uninstall networkx
pip install networkx==2.3
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