AMBER Archive (2006)

Subject: AMBER: 7-Methylguanine force field parameters

From: Supat Jiranusornkul (paxsj_at_nottingham.ac.uk)
Date: Fri Apr 28 2006 - 09:13:55 CDT

Dear all,

I am working on the charged methylguanine which have positively charged at N7. I had a look in parm99.dat. The type N3 (Sp3 charged for Lys) would be a good one to pick up but N7 is not really Sp3, or I should select other Sp2 N types and define the partial charge later. Also if anyone has already parameterised this molecule for AMBER, it will be really helpful. Thanks in advance.

Supat Jiranusornkul
CMI Group,
School of Pharmacy,
Centre for Biomolecular Sciences,
University of Nottingham,
UK

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