ACE residue

[Jean-Luc Pellequer]

Dear Xin,

	Comment out the FIRST NTER line in the connectivity file.
	You need to include the patch for the ACE group.
	Look at your topology file for (check for atom names too):
	
	PRESIDUE ACE  ! acetylated N-terminus
	
	and add the following patch:
	
	
segment
    name="PSAI"
    chain
        @$XPDIR/toppar/chain.blocked.pep  !define the connectivity in protein
        coor @$MOL2-x.pdb end
    end
end

patch ACE
    reference=+ ( resid 27 )
end


	Cheers,
	
Jean-Luc