[AMBER] bugfix.31

From: Norah Schlacter <norah.schlacter.gmail.com>
Date: Mon, 07 Jan 2013 14:50:11 -0600

Dear all,

I recently updated my amber with the new bugfix. However during system
set up, tleap started to give me a different distribution of counter
ions afterwards.

Before that tleap used to locate the ions away from the protein (7-11A
in a 13A water box) now it is putting all the Cl-'s close to (5-7A) to
Arginines and Lysines.


I was wondering what part of the update is responsible for that kind of
change. I checked the summary of the bugfix, couldn't figure out what
part of the update affects tleap.

Thanks in advance,
Norah




_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jan 07 2013 - 13:00:03 PST
Custom Search