Error with dummy atoms

From: George Patargias (
Date: Wed Nov 27 2013 - 11:07:40 CST


I am using the Magnesium-dummy atoms representation and I get thee error

FATAL ERROR: child atom 31648 bonded only to child H atoms

which is one of the dummy atoms. Do you know what should I do?

Do I need to make the change in Molecule.C, line 5539 as mentioned here?



Dr. George Patargias
Postdoctoral Researcher
Biomedical Research Foundation
Academy of Athens
4, Soranou Ephessiou
115 27

Office: +302106597568

This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:24:02 CST