[gmx-users] couple-intramol

[Qasim Pars]

Dear users,

I got a little bit confused about the use of "couple-intramol". If I set it
to "no", the intramolecular intractions of the ligand are "on" when the
ligand is decoupled, right? It means that I don't need to set [
nonbond_params ] part for the ligand?

; Free energy
free-energy              = yes
init-lambda              = 0
delta-lambda             = 0
sc-alpha                 = 0.5
sc-power                 = 1
sc-sigma                 = 0.3
sc-coul                  = yes
couple-moltype           = ligand
couple-intramol          = no
couple-lambda0           = vdw-q
couple-lambda1           = none
nstdhdl                  = 100

Thanks in advance,

-- 
Qasim Pars