[gmx-users] virtual Site + verlet cuttoff problem
Brad Van Oosten
bv07ay at brocku.ca
Tue Dec 3 17:00:55 CET 2013
I am having difficulty running a simulation with virtual particles. If I use
the group cutoff-scheme, the simulation runs, but if I use Verlet cutoff, i
get the error "The mass of a vsiten constructing atom is <= 0".
Does Verlet cutoff scheme not work with virtual particles, or is there some
trick around this?
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