AMBER Archive (2005)

Subject: AMBER: Error with antechamber

From: Joseph Fernandez (joefern9999_at_yahoo.com)
Date: Wed Aug 03 2005 - 14:45:29 CDT

I am running antechamber to determine resp charges
from the output file of a gaussian calculation for a
molecule that has 177 atoms. I get an error (see
below) after running antechamber. I would appreciate
any help on this matter.

antechamber -fi gout -fo mol2 -i gaussianoutput.log -o
output.mol2 -c resp -nc 1

 Amber8 Module: resp

PGFIO-F-217/formatted read/unit=5/attempt to read past
end of file.
 File name = ANTECHAMBER_RESP1.IN formatted,
sequential access record = 1
 In source file _resp.f, at line number 385

 Amber8 Module: resp

PGFIO-F-217/formatted read/unit=5/attempt to read past
end of file.
 File name = ANTECHAMBER_RESP2.IN formatted,
sequential access record = 1
 In source file _resp.f, at line number 385
Cannot open charge file QOUT , exit

        
                
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