[gmx-users] decoupling charge while maintaining intramolecular potentials

[chris.neale at utoronto.ca]

Thanks Berk and Michael for all of your assistance,

Chris.

-- original message --

I guess that what you want to do is exactly what the decouple mdp options do.
You probably don't need modify any topology files.
If couple-intramol=no (default) than all intra-molecular interactions  
are not turned
off and are plain LJ/Coulomb without cut-off.