On Wed, Nov 14, 2012, Fernando Mart??n Garc??a wrote:
> I'm trying to obtain my ligand prep and frcmod files of GTP following
> this tutorial:
(Aside: note that there are already GTP parameters in the contributed
parameter database)
>
> Error: cannot run "/opt/amber12/bin/sqm -O -i sqm.in -o sqm.out"
> of bcc() in charge.c properly, exit
You have to look at the sqm.out file to see what the error is. The charge
depends on how many protons you have in the input file, but -4 is probably the
most relevant form.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 14 2012 - 10:00:03 PST
