[AMBER] antechamber error

From: Andre Serobian <a.serobian.unsw.edu.au>
Date: Wed, 5 Jan 2011 17:55:07 +1100

Dear antechamber users,

I am using Amber 11 with ambertools 1.4 and getting the following error message when trying to run antechamber:

antechamber -i mln2.ac -fi ac -o mln2.mol2 -fo mol2 -c bcc -nc 2 -s 2

Running: /usr/local/amber11/bin/bondtype -j full -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac

Info: Bond types are assigned for valence state 11 with penalty of 2

Running: /usr/local/amber11/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff

Total number of electrons: 312; net charge: 2

Running: /usr/local/amber11/bin/sqm -O -i sqm.in -o sqm.out
Error: cannot run "/usr/local/amber11/bin/sqm -O -i sqm.in -o sqm.out" of bcc() in charge.c properly, exit

The error message is in the above line.

Any ideas on what it may be?

Kind regards,


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Received on Tue Jan 04 2011 - 23:00:02 PST
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