[gmx-users] how to set vdw_lambdas and coul_lambdas

[Sadaf Rani]

Dear Gromacs users

I am trying to run a free energy calculation of ligand with protein in
which I am going to transform electrostatics going from lambda 0 to 1 when
vdw interactions and restraints are there, and in the second step
transforming vdw interactions while switching off electrostatics.
The thing which is confusing me is how should I switch off any of the above
parameters should all lambda should be set to 1 or zero? e.g for while
transforming electrostaticss I am setting vdw_lambdas, coul_lambdas
and restraint_lambdas as below:-
vdw_lambdas              = 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
coul_lambdas             = 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40
0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 0.90 0.95 1.00
restraint_lambdas        = 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00

Is it the right way of doing this?

I need your suggestions, please.

Thanks

Sadaf