[AMBER] Constant pH simulation at pH 7

From: nicholus bhattacharjee <nicholusbhattacharjee.gmail.com>
Date: Sat, 31 Jul 2010 10:19:00 -0400

Dear community,
                           It is written in the amber manual that constant
pH simulation donot support titrating the terminal residues. So we have to
exclude them. Moreover we should exclude TYR and LYS for acidic simulations
and GL4 and AS4 for basic simulations. My query is if I keep the solvph=7.00
which residues should I exclude while simulating. Thank you in advance.

Nicholus Bhattacharjee
PhD Scholar
Department of Chemistry
University of Delhi
Delhi-110007 (INDIA)
Phone: 9873098743(M)
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Received on Sat Jul 31 2010 - 07:30:03 PDT
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