[gmx-users] Remove water molecules from .tpr file

[Navneet Kumar]

Hello Everyone!

I want to calculate the g_mmpbsa (binding free energy) for a protein+ligand
complex.
I want to delete the water molecules and other ions from the system.
I have removed the water molecules from the .xtc file. But how to
manipulate and remove the water molecules information from .tpr
(md_0_10.tpr)file. I want a new .tpr file which matches my new trajectory
file. How to do this?

Regards
Navneet