Re: [gmx-users] ASP-LIG Interaction Energy : MDRUN

nahren manuel wrote: Dear Gromacs Users, I have just completed one (5ns ) mdrun. Now If i want to calculate the interaction energy between two residues, my ligand and ASP104, how should I go about calculating the same. The one option I know is by creating .ndx . But I did not expect this

[gmx-users] ASP-LIG Interaction Energy : MDRUN

Dear Gromacs Users,   I have just completed one (5ns ) mdrun.   Now If i want to calculate the interaction energy between two residues, my ligand and ASP104, how should I go about calculating the same.   The one option I know is by creating .ndx . But I did not expect this residue to play an imp