hi!

From: sohail qamar <sohailqamar(-(at)-)yahoo.com>
Subject: hi!
Date: Fri, 8 Sep 2000 21:08:18 -0700 (PDT)

hi!
  I am using Autodock for my project.After assigning
 the charges to the macromolecule(enzyme) using amber
 ,the total charge is not 0.Would u please tell me
 whether the charge must be 0 or I can proceed with the
 calculated charges.
    Another ? is that the enzyme comprises 268
 residues.
 Is it correct that I calculate the charges of
 individual residues using MOPAC and then make a script
 to form a pdbq file as there are some limitations in
 mopac of maximum no. of atoms.
  Sohail.
    University sains malaysia.
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