Cgenff_charmm2gmx.py Import Error Inquiry

User discussions
1

GROMACS version: 2020.3
GROMACS modification: Yes/No
Here post your question:

Gromacs Tutorial 5 Protein Ligand Complex, during Ligand Topology building upon inputting:

python cgenff_charmm2gmx_py2_nx1.py JZ4 jz4_fix.mol2 jz4.str charmm36-jul2020.ff

I am receiving the error:

Traceback (most recent call last):
File “cgenff_charmm2gmx_py2_nx1.py”, line 51, in
import networkx as nx
ImportError: No module named networkx

How may I fix this?

Thanks:)

2

Install the software dependencies that are stated on the page where you downloaded the script.