[gmx-users] Freezing the solute

Jernej Zidar jernej.zidar at gmail.com
Mon Jan 16 09:35:33 CET 2017

  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

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