[AMBER] Antechamber Gaff Am1-bcc charges

From: Neha Gandhi <n.gandhiau.gmail.com>
Date: Thu, 23 Feb 2017 18:22:07 +1000


I am using latest version of Ambertools and Amber16. I am trying to use
antechamber and assign AM1-BCC charges to a ligand (net charge -4). I get
error regarding sqm.
Error cannot run sqm -O -i sqm.in -o sqm.out" of bcc() in charge.c
properly, exit

I looked up mailing list suggesting to either upgrade ambertools or look
for information in the sqm.out file. There is no ouput in the sqm.out file.

Kindly advice.

Dr. Neha S. Gandhi,
Vice Chancellor's Research Fellow,
Queensland University of Technology,
2 George Street, Brisbane, QLD 4000
Research Gate
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Received on Thu Feb 23 2017 - 00:30:02 PST
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