for protein-ligand complex w/ gromacs (lysozyme), update the npt.mdp file

[UnixJunkie]

Hello,

I had to change this line in npt.mdp so that gromacs run:

; Pressure coupling
;;pcoupl = Berendsen ; pressure coupling is on for NPT
pcoupl = C-rescale ; pressure coupling is on for NPT

[jalemkul]

The tutorials are designed for GROMACS 2018, which should allow use of Berendsen. It is indeed outdated as far as available pressure coupling algorithms go, so a future version will update this to C-rescale.