[gmx-users] -vsite and protein-ligand simulations

[Alec Zander]

Hello!

I'm pretty new to Gromacs. I'm running Gromacs 4.6.5 and I've been trying
out the -vsite aromatics on my protein to achieve a 4fs timestep, and I am
happy with the results. Can -vsite also be used for ligands in a ligand +
protein simulation? Would this introduce any problems with ligand behavior
differing from its parameterization?

ALX
PhD student