Re: [AMBER] Error in Antechamber

From: Scott Brozell <>
Date: Fri, 26 Jun 2020 16:04:24 -0400


On Fri, Jun 26, 2020 at 08:08:55PM +0530, Shreeramesh wrote:
> When I run Antechamber for the ligand, I am getting the following error. I
> have attached the input file of my ligand in the attachment. I request you
> to kindly help to fix this error.
> Error:
> Error: cannot run "/apps/chpc/chem/amber/14/bin/sqm -O -i -o
> sqm.out" of bcc() in charge.c properly, exit

What have you done to investigate the problem ?
In particular, what did you learn from examining sqm.out ?
And what did you find when you searched the mailing list archives ?


AMBER mailing list
Received on Fri Jun 26 2020 - 13:30:03 PDT
Custom Search