> Thanks. But my system is non-periodic and in vaccuo. Does `nscm` still
> affect the system so much?
Yes, I realized after I sent that e-mail that my final sentence that this
is important in periodic systems was misleading in that it is even more
important in gas phase (non-periodic) simulation since there are no
possibilities for "collision" to remove this translational motion, so yes,
in general it is wise to remove the COM translational motion of the entire
system.
Received on Thu May 01 2003 - 18:53:01 PDT
