[gmx-users] Perturbation from/to dummies

Berk Hess gmx3 at hotmail.com
Tue Jun 10 17:23:00 CEST 2003

>I thought it wasn't possible, but apparently I'm not up-to-date. Sorry.
>I know I heard Berk mentioning something about mass 0 and Lincs once,
>but don't know about the status of it.

Atoms with zero mass, will have zero inverse mass in the constraint 
algorithms, so they won't move.
But you should not change the mass of a particle when you change it from an 
interacting atom
to a dummy atom.


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