[gmx-users] freeze groups and com motion

[Zhou Bo]

Dear Fellow Users,

   I am modeling a system of a monolayer adsorbed on a water/solid
interface. I just freeze the solid substrate, and I use ewald_geometry = 3dc
in the mdp file (a vaccum boundary is upon the water). As the mass of the
monolayer is 3 times less than the substrate, and 13 times less than the
solvent, I am not sure whether or not I should remove the com motion of the
whole system. Does anyone have any suggestions?

 

Thank you

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