GROMACS version: 2020.1
GROMACS modification: No
Hello everyone, i get error message like this when define unit cell
gmx editconf -f complex.gro -o newbox.gro -bt cubic -d 1.5
Fatal error:
Invalid line in complex.gro for atom 5185: 9.36900 9.36900 16.01200
Previously I have also done simulations with other ligands and it worked. anyone can help me? Thank you in advance
Here I upload the file that I use for the simulation :
https://drive.google.com/drive/folders/1sIxiGQFQSreC0e8BWNi4uUq2df7KFkHa?usp=sharing