[AMBER] query about the charge fitting procedure about C- and N-terminal residues

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From: Ye MEI <ymei.itcc.nju.edu.cn>
Date: Fri, 26 Jun 2009 10:19:47 +0100

Dear Amber developers,

Recently, I noticed that the atomic charges of N-terminal residues differ
a lot between ff94 and ff03. In ff03 paper, I only found explanation for
the fitting procedure for non-terminal residues. So I am wondering how
the atomic charges were fitted for C- and N-terminal residues. Can
anyone tell me?

best regards,

Ye MEI

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Received on Mon Jul 06 2009 - 11:20:09 PDT