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,
right?
Thanks in advance,
Alan
--
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
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Received on Wed Jun 09 2010 - 04:30:10 PDT
