[gmx-users] segmentation fault on gromacs 4.5.5 after mdrun

Hello evryone, I doing a simulation of a ligand-protein interaction with gromacs 4.5.5. Everything looks fine after I equilibrate the protein-ligand complex. I'm running these commands: grompp -f nvt.mdp -c em.gro -p topol.top -n index.ndx -o nvt.tpr mdrun -deffnm nvt Nevertheless, I got thi

Re: [gmx-users] segmentation fault on gromacs 4.5.5 after mdrun

On 11/11/13 11:24 AM, Carlos Javier Almeciga Diaz wrote: Hello evryone, I doing a simulation of a ligand-protein interaction with gromacs 4.5.5. Everything looks fine after I equilibrate the protein-ligand complex. I'm running these commands: grompp -f nvt.mdp -c em.gro -p topol.top -n ind