AMBER Archive (2003)

Subject: Re: AMBER: charge method of antechamber

From: David A. Case (case_at_scripps.edu)
Date: Tue Aug 05 2003 - 00:24:00 CDT

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'
Manual.

..hope this helps...dac 

-- 

==================================================================
David A. Case                     |  e-mail:      case_at_scripps.edu
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            |    http://www.scripps.edu/case
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