Dear users, I have two ligands. I created a special index group that merges the protein, LiGA and LİGB.
I have the pr.mdp file as the following: ... energygrps = Protein LİGA_LİGB tc-grps = Protein_LİGA_LİGB Water_and_ions ... grompp -f pr.mdp -p topol.top -c em.gro -n index.ndx -o pr.tpr Fatal error: Group LİGA_LİGB not found in indexfile. I get the fatal error since I dont have a special index group that merges LiGA and LİGB. should I create two different index file? Thanks in advance -- Ahmet YILDIRIM
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