Dear Karl
Thank you so much for your response.
I will check with chimera antechamber and am1-bcc method to add charges.
Have a nice week end
Best wishes
Vince
On Dec 5, 2015 15:43, "Karl Kirschner" <k.n.kirschner.gmail.com> wrote:
> Hi Vince,
>
> You could always use Antechamber to determine partial atomic charges.
> Take a look at AM1-BCC in Amber's manual. You may also consider how/if you
> want to validate the charge set.
>
> RED will also accept GAMESS out files (
> http://www.msg.ameslab.gov/gamess/download.html).
>
> Bests,
> Karl
>
>
> On Sat, Dec 5, 2015 at 3:08 PM, V. Kumar <vin.vasanth.gmail.com> wrote:
>
> > Dear AMBER
> >
> > I have a new aliphatic organic polymer molecules and I want to build new
> > force-field for a repeating block. I don't have Gaussian software and I
> > have tried to used RED RESP way to add charge. Unfortunately RED RESP
> > requires Gaussian output file. I wondering is there is alternative way to
> > reasonably add correct charge more or less similar to RED RESP?
> >
> > thanks in advance
> > Vince
> > _______________________________________________
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Karl. N. Kirschner, Ph.D.
> Research Associate
> Bonn-Rhein-Sieg University of Applied Sciences
> Grantham-Allee 20, 54757 Sankt Augustin, Germany
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Received on Sat Dec 05 2015 - 12:30:03 PST
