re: the removal of global motion

From: Shixiang Yan <sy8_at_SCIRES.ACF.NYU.EDU>
Date: Tue 12 Nov 2002 11:44:38 -0500

I have a question about the removal of global motion in Amber simulations.
We found in the manual that six degrees of freedom of global motion could
be removed periodically by setting NTCM/NSCM; however, as we discussed
with others, it appears that the global rotation could not be removed in
the periodic boundary simulation. I was wondering how Amber handles the
global rotation, by freezing them or something else? Thanks a million,
Received on Tue Nov 12 2002 - 08:44:38 PST
Custom Search