LISTSERV - GLYCAM-L Archives - LISTSERV.UGA.EDU

GLYCAM-L Archives

Users of GLYCAM & GLYCAM-Web

GLYCAM-L@LISTSERV.UGA.EDU

	LISTSERV Archives
	GLYCAM-L Home

	Log In
	Register

	Subscribe or Unsubscribe

	Search Archives

Options:	Use Forum View Use Monospaced Font Show Text Part by Default Show All Mail Headers
Message:	[<< First] [< Prev] [Next >] [Last >>]
Topic:	[<< First] [< Prev] [Next >] [Last >>]
Author:	[<< First] [< Prev] [Next >] [Last >>]

Subject:	GLYCAM parameters for Sialic Acid (to be loaded in leap)
From:	Elvis Martis <[log in to unmask]>
Reply To:	Users of GLYCAM & GLYCAM-Web <[log in to unmask]>
Date:	Fri, 27 May 2016 03:20:31 -0400
Content-Type:	text/plain
Parts/Attachments:	text/plain (8 lines)

Hello,
I am trying to simulate N8-neuraminidase bound to sialic acid in AMBER14.
In order to use GLYCAM_06j-1 paramters for sialic acid, I edited everything necessary. For example, residue name was changed to "0SA" and then the atom names were changed as per the atom names in "0SA". However, there is an additional OH attached to C2 which has no names. As per Prof. Case's suggestion in "AMBER Digest, Vol 1588, Issue 1:message 5" we must link "0SA" to "ROH",  this I am not clear how to do it.
Can someone help me here?
Thanks in Advance. 
Regards
Elvis Martis

ATOM RSS1 RSS2

LISTSERV.UGA.EDU