On Wed, 9 Nov 2016 01:44:34 -0700
Miguel Rivera <miguelrivera1855.gmail.com> wrote:
> I see. So essentially since I can't eliminate H and a partial charge
> of zero is needed ,and set, for FEW I am stuck between a rock and a
> hard place. Thanks again for you help!
You can provide a _total_ molecule charge to antechamber via the -nc
command line flag. How FEW allows you to set a non-zero charge, I do
not know.
I do not quite see how not having the hydrogens would be of any help.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 09 2016 - 01:00:03 PST
