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.
FATAL: Atom .R<UNK 126>.A<C 1> does not have a type.
FATAL: Atom .R<UNK 126>.A<O 2> does not have a type.
The ligand is a simple unsaturated aliphatic aldehyde.
Any ideas how to resolve this problem would be greatly appreciated.
Many thanks in advance
George
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Received on Wed Jan 21 2009 - 01:10:12 PST
