Re: AMBER: charge method of antechamber

From: David A. Case <>
Date: Mon, 4 Aug 2003 22:24:00 -0700

On Mon, Aug 04, 2003, Helios Chen wrote:
> I have succesfully compiled for file conversions, i.e.
> antechamber -i $AMBERHOME/test/antechamber/tp/tp.pd -fi pdb -o tp.prepin -fo
> prepi.
> But there is some wrong message as follows "Unable to find mopac charges in
> ANTECHAMBER_MUL.OUT" when I applied the "-c bcc" charged method to add
> charges. However it can work by using other charged method "-c gas", can
> anyone help me on this? Thanks in advance.

Look at the ANTECHAMBER_MUL.OUT file to see if you can see what went wrong;
(this is the output from the mopac run). If you don't have such a file,
make sure you have a working mopac -- see item (4) on p. 8 of the Users'

...hope this helps...dac

David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |
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Received on Tue Aug 05 2003 - 07:53:02 PDT
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