On Thu, Jun 13, 2019, Hira Jabeen wrote:
>
> Following Amber mailing list, I tried: sqm -O -i sqm.in -o sqm.out
> sqm.out file says: QM ATOM VALIDATION: nquant has a value of 0
> which is bigger than natom of 0. Need 0 < nquant <= natom.
First: can you post your sqm.in file?
> Ligand file is attached here with. Kindly advice!
Second: this is an sdf file, which is not directly used by antechamber.
What commands did you give to antechamber? Or generally, what use did
you make of your ligand file?
..thx...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jun 13 2019 - 10:00:03 PDT
