Subject: AutodockTools Question

From: "zgleo" <[email-masked]>
Date: Thu, 7 Nov 2002 10:40:21 +0800

Dear CCLers,
   		I'm using AutoDockTools.As my receptor misses about 20 residues in the middle region(but far away from my pocket),it looks like owning two peptide chains.When I grid in ADT,there is such error message:"non-integer charge:Gly142,Val177,Lys198,Ile431".I have checked and found that these are exactly the four terminal residues.Then I fixed the residues by add H to terminal N and O.Unfortunately,the problem remains.How should I deal with such case?
Best Regards!
---------------------
Liu Zhi-Guo
Ph.D candidate
Drug Design & Discovery Center
Shanghai Institute of Materia Medica
Shanghai,in China