[gmx-users] Position restraint on flexible models of water

Iman Ahmadabadi imanahmadabadi75 at gmail.com
Sat Jan 13 22:44:53 CET 2018

Dear Gromacs users,

As you know, there is a position restraint for water molecules (on each
oxygen atom) in the topology file. what is purpose of this restraint in the
topology files?

My second question is: this position restraint should exist while I'm using
a flexible model of water or not?


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