[AMBER] non-bonding parameters

From: Eliac Brown <eliacbrown.yahoo.com>
Date: Thu, 18 Nov 2010 12:32:15 -0800 (PST)

Dear Sir/Madam
I am a beginner in using AMBER. I found in amber file format, for non-bonding interaction:
'RE' van der Waals radius and the potential well depth parameters are read.
In other amber related pages, it says atomic radius and well depth
In a third party, it says amber radius and well depth or sigm and well depth
what is the correct description for the first term?
I know r(min)= 2^(1/6)*sigm
E. Brown


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Received on Thu Nov 18 2010 - 13:00:03 PST
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