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Subject:	Advice on using GLYCAM parameters
From:	Senal Dinuka <[log in to unmask]>
Reply To:	Users of GLYCAM & GLYCAM-Web <[log in to unmask]>
Date:	Thu, 19 Jul 2018 10:54:53 -0400
Content-Type:	multipart/mixed
Parts/Attachments:	text/plain (379 bytes) , Linamarin-structure.png (70 kB)

I am trying to simulate below mentioned ligand (linamarin) docked to b-Glucoside enzyme. It is made up of a glucose moiety in which anomeric O-H is substituted by a cyanogenic moitey. I would like to know if one would necessarily require the use GLYCAM force-field to model such system. If so how to prepare the PDB/mol2 file to comply with GLYCAM naming conventions. 

Regards,

DLS Dinuka

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