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
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Received on Mon Jan 07 2013 - 13:00:03 PST
