Do you have mopac program installed in $AMBERHOME/exe? You may check if
ANTECHAMBER_MUL.OUT is there or not.
Junmei
"Helios Chen"
<p9890101.dec4000
.cc.ncku.edu.tw> To
Sent by: <amber.scripps.edu>
owner-amber.scrip cc
ps.edu
Subject
AMBER: charge method of antechamber
08/03/2003 11:00
PM
Please respond to
amber.scripps.edu
Dear all, I have a problem running antechamber assign atomic charges.
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.
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Received on Mon Aug 04 2003 - 15:53:00 PDT
