Hi, I receive this error message:
Traceback (most recent call last):
File "cgenff_charmm2gmx_py2.py", line 50, in
import numpy as np
ImportError: No module named numpy
when i tape the following command:
python cgenff_charmm2gmx.py JZ4 jz4_fix.mol2 jz4.str charmm36-mar2019.ff
I think you have not installed numpy or are using a different version of python in case you have already more than one version installed on your system.
So, my suggestion is installing numpy using: "pip install numpy" or changing the python version for the project to the right one.
If you are a windows user, First, install pip following the instruction in the link.
https://phoenixnap.com/kb/install-pip-windows
Then open your console and run pip install numpy . After installing numpy , restart your PC then try the code again! Let us if it works or not!
no I work on linux and I need the complete procedure for the installation of numpy
For linux:
1. Open terminal
2. run sudo apt install python3-pip
3. Enter your password. This will install pip for python-3
4. after successfully installing pip
5. run pip install numpy
This will solve your problem. Give us update.
Hi.
I received the same error while running gromacs although numpy is installed in the system.
Kindly help me with the same.
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