[AMBER] Neutralization of the system by Na+ or Cl- ions are needed or not for constant pH MD simulation

From: nicholus bhattacharjee <nicholusbhattacharjee.gmail.com>
Date: Fri, 24 Sep 2010 08:33:54 -0400

Dear community,
                          Since we use a salt concentration for input file
in constant pH MD simulation do we need to neutralize the system with NA+ or
Cl- ions (depending upon the system charge). Thank you for the reply. 

-- 
Nicholus Bhattacharjee
PhD Scholar
Department of Chemistry
University of Delhi
Delhi-110007 (INDIA)
Phone: 9873098743(M)
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Received on Fri Sep 24 2010 - 06:00:09 PDT
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