AMBER Archive (2009)
Subject: [AMBER] Atom types
From: George Tzotzos (gtzotzos_at_mac.com)
I'm loading on xleap a protein/ligand complex obtained from a docking simulation using AutoDock v.4.
When I do a check in xleap I get the following fatal errors:
WARNING: The unperturbed charge of the unit: -8.000000 is not zero.
The ligand is a simple unsaturated aliphatic aldehyde.
Any ideas how to resolve this problem would be greatly appreciated.
Many thanks in advance