[gmx-users] freezing atoms does not speed up calculation

Sung-Joo Lee sungjoo at stanford.edu
Wed Jul 14 00:37:17 CEST 2004


I've been running gromacs with freeze_grps setting in the

I was hoping if I freezed atoms, that would speed up things a lot, since 
you don't need to calculate the force between the frozen atoms.

Appearantly not.
It has almost no effect on the speed.
I've verified that my setting is correct, and it indeed freezes the 
atoms I chose in the mdp file.

Does anybody have experience otherwise?


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