[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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