modeling sucrose

From: Glenn Johnson (gjohnson_at_srrc.ars.usda.gov)
Date: Wed Mar 09 2005 - 17:19:12 CST

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Has anybody modeled sucrose with NAMD? I have the CSFF force field
files which have parameters for pyranose rings but I need something for
the fructose residue of sucrose.

How does one go about deriving charges, parameters, etc?

Thanks.

-- 
Glenn Johnson <gjohnson_at_srrc.ars.usda.gov>
U. S. Department of Agriculture

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