[DFTB-Plus-User] KeepStationary

Linas Vilciauskas l.vilciauskas at gmail.com
Wed Feb 27 17:58:49 CET 2013

Dear dftb+ community,
I'm doing NVE md with a bulk periodic system, and I've just noticed
that the center of mass starts to move in a longer run even with the
KeepStationary explicitly set to "Yes". Can somebody comment on this?


Linas Vilciauskas
New York University

More information about the DFTB-Plus-User mailing list