[gmx-users] rigid body motion
Morteza Chehel Amirani
morteza.amirani at gmail.com
Mon Jul 8 17:54:22 CEST 2019
Hello,
I'm just wondering what is the best way to put constraints on a group of
molecules (several water molecules + ions) to move as a rigid body i.e., to
keep the relative distance between atoms of the group fixed? The water
molecules and ions form a droplet in my simulation and I would like to
enforce it to remain a droplet throughout the simulation.
Sincerely,
Morteza
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