Find some error while following the protein ligand simulation

User discussions
1

python cgenff_charmm2gmx.py JZ4 jz4_fix.mol2 jz4.str charmm36-jul2022.ff
python: can’t open file ‘/mnt/c/Users/DEEP/OneDrive/Documents/sim_tuti/cgenff_charmm2gmx.py’: [Errno 2] No such file or directory. Please suggest some solution to fix this.

2

This is not really GROMACS related but rather an error of python. As the error suggests, the script cannot be found in the directory where you are running the command. Are you in the right directory?

3

yes. I am in the right directory

4

Can you post the content of the directory from where you are launching the command? Are you using the correct python version for the script you are using?