Sugar phosphate topology and parameter

From: Dhiraj Srivastava (
Date: Thu Apr 14 2016 - 00:32:55 CDT

Hi All
        I am trying to simulate a protein which binds fructose bis
phosphate (FBP). CHARMM forcefield parameters for fructose and phosphate
linked to carbohydrate is already developed by MacKerell group. however its
not available for FBP. do I need to patch fructose for phosphate to get FBP
or should I make topology and parameter for FBP based on analogy?


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