Please attach your ligand file if possible.
On Thu, Feb 23, 2017 at 1:54 PM Neha Gandhi <n.gandhiau.gmail.com> wrote:
> 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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>
--
*Mitul SrivastavaSenior Research FellowD*rug *D*iscovery *R*esearch *C*enter
(DDRC)
*T*ranslational *H*ealth *S*cience and *T*echnology *I*nstitute (THSTI),
NCR Biotech Science Cluster
3rd Milestone, Faridabad – Gurgaon Expressway
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Received on Thu Feb 23 2017 - 01:00:03 PST
