AMBER Archive (2007)

Subject: AMBER: antechamber: mopac charges

From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Wed Jul 04 2007 - 18:21:02 CDT

Hi,

In using amber7 for doing Ross' antechamber tutorial (with sustiva.pdb),
typing:

$AMBERHOME/exe/antechamber -i sustiva.pdb -fi pdb -o sustiva.prepin -fo
prepi -c bcc -s 2

I get:
Running: /software/amber7/exe/mopac.sh ANTECHAMBER_MUL.MOP
ANTECHAMBER_MUL.OUT
/software/amber7/exe/mopac.sh: line 11: /usr/local/bin/mopac: No such file
or directory
Unable to find mopac charges in ANTECHAMBER_MUL.OUT

2 files, ANTECHAMBER_MUL.MOP and ANTECHAMBER_MUL.OUT, the second one being a
blank file. Could somebody please point out what's to be done here? (I don't
understand why the program would look for something outside the path
specified as $AMBERHOME...)

Thanks in advance,

Neelanjana Sengupta 

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