AMBER Archive (2003)

Subject: Re: problem about virtual box?

From: Thomas E. Cheatham, III (cheatham_at_chpc.utah.edu)
Date: Thu May 01 2003 - 12:33:49 CDT

> 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.