If my reading is correct, in other words, it looks like, in order to
exclude
one more pair of interactions, we need to give them a bond, instead of
adding a pair to the excluded list.
yong
-----Original Message-----
From: owner-amber-developers.scripps.edu
[mailto:owner-amber-developers.scripps.edu] On Behalf Of Yong Duan
Sent: Friday, November 11, 2005 9:44 AM
To: amber-developers.scripps.edu
Subject: RE: amber-developers: Excluded list ?
Yes, I think it is re-built in init_extra_pts() from other information.
The
excluded list is simplied unused in part of the code (not exactly sure the
scope).
Received on Wed Apr 05 2006 - 23:49:49 PDT
