AMBER Archive (2008)

Subject: Re: AMBER: problem with antech amber

From: David A. Case (case_at_scripps.edu)
Date: Sat Mar 15 2008 - 00:09:00 CDT

On Mon, Mar 10, 2008, Madjid Taghdir wrote:

> I'm using antechamber to prepare parameters for a molecule contaning a Calcium that bond to two GLU residue and I get this error.
> ######################
> Running: /programs/amber/amber9/exe/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff
> Total number of electrons: 0; net charge: 0
> Running: $AMBERHOME/exe/divcon
> Error: unable to find divcon charges in divcon.out

You need to examine the divcon.out file. But my guess is that it is not
correctly identifying calcium in your input file. GAFF is designed for
organic molecules; it will not work with ions.

...good luck...dac

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