[AMBER] antechamber failing with -mul option and sqm

From: Alan <alanwilter.gmail.com>
Date: Wed, 9 Jun 2010 12:15:11 +0100

Hi there,

I am trying:

antechamber -fi mol2 -fo ac -i drug.mol2 -o drug_mul.ac -c mul

But it gives:

Running: hc

sh: hc: command not found
Error: cannot run " hc
" of mul() in charge.c properly, exit

if I do (and I have mopac running with AT 1.4):

antechamber -fi mol2 -fo ac -i drug.mol2 -o drug_mul.ac -c mul -df 0

It works. So either SQM doesn't do Mulliken charges or something is broken,

Thanks in advance,


Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
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Received on Wed Jun 09 2010 - 04:30:10 PDT
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