On Thu, Feb 23, 2017, Neha Gandhi wrote:
>
> 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.
Is there an sqm.in file? Can you run "sqm -O -i sqm.in -o sqm.out" to
see what happens?
....dac
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Received on Thu Feb 23 2017 - 05:30:03 PST
