AMBER: antechamber + mopac failure

From: Nitin Bhardwaj <nbhardwaj.gmail.com>
Date: Mon, 19 Sep 2005 11:36:30 -0500

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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Sep 19 2005 - 17:53:00 PDT
Custom Search