[gmx-users] Charge of the system

Dear allI am using gromacsto simulate ligand bonding to an enzyme. I have two problems withcharge of system: 1) after making topology file for ligand using prodrug, I saw itsnet charge was -0.4. how can I neutralize it?2) I used this topology parameters of ligand to continuesimulation steps.

Re: [gmx-users] Charge of the system

On 4/28/15 11:14 AM, Emran Heshmati wrote: Dear allI am using gromacsto simulate ligand bonding to an enzyme. I have two problems withcharge of system: 1) after making topology file for ligand using prodrug, I saw itsnet charge was -0.4. how can I neutralize it?2) I used this If the net