Re: [gmx-users] Error: 1 atoms are not part of any of the T-Coupling groups

2012-05-03 Thread Justin A. Lemkul
On 5/3/12 12:32 PM, kalai arasan wrote: Dear, I am working in complex protein which contains one ligand and one Mg2+ ion. I am got an error while running grompp for NVT. grompp -f nvt.mdp -c em.gro -p topol.top -n index.ndx -o nvt.tpr

[gmx-users] Error: 1 atoms are not part of any of the T-Coupling groups

2012-05-03 Thread kalai arasan
Dear, I am working in complex protein which contains one ligand and one Mg2+ ion. I am got an error while running grompp for NVT. grompp -f nvt.mdp -c em.gro -p topol.top -n index.ndx -o nvt.tpr --- Progr