[gmx-users] Freezing the solute

[Jernej Zidar]

Hi,
  I would like to run a simulation with a frozen solute. The manual
suggests to add the following to the MDP:

freezegrps      SOLUTE

freezedim       Y Y Y

  And creating an index group called SOLUTE. I did this but I can still
some atoms of SOLUTE moving during the minimization. What could be missing?

Thanks in advance,
Jernej Zidar