[gmx-users] freezegroups

[Berk Hess]

Hi,

Bert, you probably have constraints?
Atoms in 1-D freezing might still move because the have constraints.
In 3-D freezing this probably does not happen, since frozen particles
are only constrained to frozen particles.
It is not easy to implement combined 1-D freezing and constraining.

Berk.






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