Autodock - Integral Charges?
- From: Robert Flight <l72k6 -8 at 8- unb.ca>
- Subject: Autodock - Integral Charges?
- Date: Wed, 26 Jun 2002 10:24:05 -0300
I just started using autodock, and I'm getting an error message about
not having integral charges. Does this mean that the charge on each peptide
of a receptor has to be an integral value of -1, 0, 1 or something along those
lines? As well, does anyone know how to avoid this problem, as it occurs
whether I calculate the charges in AutoDockTools or using another program
(Molecular Operating Environment - MOE). Any help or suggestions are
Department of Chemistry
University of New Brunswick
e-mail: L72K6 -8 at 8- unb.ca