GROMACS version:2022
GROMACS modification: Yes/No
Here post your question :
After modifying the .itp files with parameters for MARTINI FF when I am trying to run the same command for CG,I am now facing the error:
Atoms in the .top are not numbered consecutively from 1 (rather, atomnr =
1, while at->nr = 11), can anyone kindly suggest how to resolve this?