[AMBER] Antechamber Gaff Am1-bcc charges

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

Hello,

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. 



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