I am having trouble when I try to convert my .gro file (coarse grained) into all atom file . When I execute the following command:
./initram-vsh.sh -f X.gro -o X.gro -to charmm36 -p protein.top
I got the error: Key error 'Protein_A".
I wonder if this error comes from the .top file, or if there is any way to fix this.