[gmx-users] Protein in energygrp_excl is not an energy group

[Rebeca García Fandiño]

Hi,
I am trying to use g_membed to insert a protein into a membrane, and for that I am following the instructions indicated in the help-command.
I am trying to create a .tpr file with the following options included in the .mdp file.
 - integrator      = md
 - energygrp       = Protein 
 - freezegrps      = Protein
 - freezedim       = Y Y Y
 - energygrp_excl  = Protein Protein

When I try to generate this .tpr file: 

grompp -c all_solvated.gro -p topology.top -f prod.mdp -o membed.tpr -n index.ndx, I get this error:


Fatal error:
Protein in energygrp_excl is not an energy group

My protein has 4 chains, but I have a group in index.ndx called Protein, so I don' t know which is the problem. Why is not grompp recognizing energygrp_excl  = Protein Protein???

Any help will be appreciated!!

Thanks in advance,


Rebeca


Dr. Rebeca Garcia
Santiago de Compostela University
Spain