[gmx-users] index file

ahmet yıldırım ahmedo047 at gmail.com
Thu May 12 00:23:41 CEST 2011

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
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