AMBER Archive (2003)

Subject: AMBER: charge method of antechamber

From: Helios Chen (p9890101_at_dec4000.cc.ncku.edu.tw)
Date: Sun Aug 03 2003 - 23:00:35 CDT

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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