[AMBER] SQM error while preparing ATP with antechamber

From: Hirdesh Kumar <hirdesh.iitd.gmail.com>
Date: Wed, 6 Aug 2014 16:47:54 +0200

Hi Amber Users,
I am trying to prepare the ATP molecule (attached) using antechamber. I
added hydrogen using xleap and the used antechamber to prepare it..

With following commands:
*antechamber -i ATP_H.pdb -fi pdb -o ATP_H.ac -fo ac -c bcc -nc -4*

I got this error:
*Running: /opt/bwgrid/chem/amber/12/bin/sqm -O -i sqm.in <http://sqm.in> -o
sqm.out*
*Error: cannot run "/opt/bwgrid/chem/amber/12/bin/sqm -O -i sqm.in
<http://sqm.in> -o sqm.out" of bcc() in charge.c properly, exit...*

Please suggest me what I did wrong..

THanks,
Hirdesh


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Received on Wed Aug 06 2014 - 08:00:03 PDT
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