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

From: Kenley Barrett <kenley.barrett.gmail.com>
Date: Sat, 18 Feb 2006 16:02:42 -0600

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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Received on Sun Feb 19 2006 - 06:10:23 PST
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