[gmx-users] Freeze + NPT + constraints

Mark Abraham mark.j.abraham at gmail.com
Wed Sep 11 09:11:40 CEST 2013

> In reality, what we should do is make it a fatal error, because truly,
> frozen groups should be used very sparingly and certainly never with NPT.
> It just doesn't make sense.  I understand what you're trying to accomplish,
> but the underlying theory becomes flawed.



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