AMBER Archive (2006)

Subject: AMBER: instructions for making a library file for an unusual residue?

From: Kenley Barrett (kenley.barrett_at_gmail.com)
Date: Sat Feb 18 2006 - 16:02:42 CST

Dear AMBER community,

I need to make a library file for a methylated histidine that fits the 2003
force field. I have read the Duan et al. article, but I am inexperienced
with making library files (and with ab initio calculations in general) and I
am not sure how to go about things. Are there step-by-step instructions
anywhere for how to make a library file for an unusual residue?

Thank you very much in advance for any suggestions.

Kenley

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