AMBER Archive (2005)

Subject: AMBER: antechamber + mopac failure

• Previous message: Nitin Bhardwaj: "AMBER: creating a resp input file without Gaussian."
• In reply to: Nitin Bhardwaj: "AMBER: antechamber + mopac failure"
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Hi,
  when i try to run antechamber to prepare a ".prepin" file using:

antechamber -i sus.pdb -fi pdb -o sustiva.prepin -fo prepi -c bcc -s 2

I get:

Running:
 /disk11/amber7/exe/mopac.sh ANTECHAMBER_MUL.MOP ANTECHAMBER_MUL.OUT

Unable to find mopac charges in ANTECHAMBER_MUL.OUT

When i remove the "-c bcc" option in the command it works fine but
it assigns weird a charge of 0 to all the atoms in the prepin file.

Where am i going wrong?

Thaks a lot in advance.
Nitin
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• Previous message: Nitin Bhardwaj: "AMBER: creating a resp input file without Gaussian."
• In reply to: Nitin Bhardwaj: "AMBER: antechamber + mopac failure"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]