[gmx-users] Position Restraints with NVT and NPT

[zanemarkson]

Thank you Justin!

I understand usually for regular equilibration, restraints should be enough.
But I am still wondering to what extent position restraint can restrain my
atoms. In fact, I ran a relatively longer NVT using position restraints and
I saw that both the absolute coordinates of my "restrained" atoms and the
distances between my "restrained" atoms changed by ~0.01nm and I think that
is not negligible any more. I don't know whether this is normal or a problem
that I should somehow fix. Any thoughts? Thank you!

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