Re: [gmx-users] Group protein not found in index file

Please keep the discussions on the list. Lara Bunte wrote: Hi Justin In my pr.mdp file is in the section ; Temperature coupling is on tc-grps = protein non-protein Is this the problem? What do I have to write here? Yes, this is the problem (or at least one source of it). As y

Re: [gmx-users] Group protein not found in index file

Lara Bunte wrote: Hello I want to use the command grompp -n index.ndx -f pr.mdp -p topol.top -c em.gro -o pr.tpr and I got the error: Fatal error: Group protein not found in index file. Group names must match either [moleculetype] names or custom index group names,in which case you must

[gmx-users] Group protein not found in index file

Hello I want to use the command  grompp -n index.ndx -f pr.mdp -p topol.top -c em.gro -o pr.tpr and I got the error: Fatal error: Group protein not found in index file. Group names must match either [moleculetype] names or custom index group names,in which case you must supply an index file