Re: [gmx-users] Ligand Topology file

On 1/27/15 3:41 AM, neha bharti wrote: Hello All I am performing Molecular dynamics simulation of protein and ligand complex. I am using GROMOS96 53a6 force field. For Ligand topology file I am using Automated topology builder. In the grompp step ( grompp -f ion.mdp -c solv.gro -p topol.top -o

[gmx-users] Ligand Topology file

Hello All I am performing Molecular dynamics simulation of protein and ligand complex. I am using GROMOS96 53a6 force field. For Ligand topology file I am using Automated topology builder. In the grompp step ( grompp -f ion.mdp -c solv.gro -p topol.top -o ions.tpr) when I tried to add ion it gives