AMBER Archive (2009)

Subject: [AMBER] Atom types

From: George Tzotzos (
Date: Mon Jan 19 2009 - 08:04:09 CST

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


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