GROMACS version:2022.4
GROMACS modification: No
Hello,
Currently i’ve been running a protein-ligand simulation for 20ns. But unfortunately i got some error while doing NVT and NPT equilibration. I got warning about system exploding and 1,4 interactions.
I read a suggestion about changing the ‘couple-intramol’ parameters to ‘Yes’, but my .mdp file doesn’t have that parameters.
There’s another recommendation about changing the table extension but i can’t figure it out how to do it.
So, anyone knows how to change the table extension or any other suggestion method that i can do about this error? I attach picture that show the warning in my simulations.
Thank you in advance!
