variants of the lysozyme in water MD tutorial

[UnixJunkie]

Hello,

I was thinking some variants, maybe in increasing complexity would have been interesting:

• protein in vacuum
• protein in implicit solvent
• protein in explicit solvent (the current tutorial)
• protein in implicit solvent w/ just a few shells of explicit solvent (if that's possible)

Regards,
Francois.

[jalemkul]

GROMACS does not support implicit solvent calculations, nor does it have a proper implementation of vacuum calculations. As such, there is not much I can do here.