AMBER Archive (2006)

Subject: Re: AMBER: prepin file nan

From: Fenghui Fan (fenghui_fan_at_yahoo.com)
Date: Tue Nov 28 2006 - 08:48:33 CST


Hi

If in the input file there is a Zn, and the
antechamber cannot recognize Zn so it gives the nan
for zn, what should we do then?

Best regards.

Fenghui Fan

--- linfu <linfu3200_at_mail.sioc.ac.cn> wrote:

> hi Fenghui Fan
> it seems that antechamber cannot recgonize the para.
> correctly.
> S1, you can try newly updated version of
> antechamber.
> S2, you can try to use mol2 file to generate the
> prepin.
> hope it can help
>
> Fu Lin
>
> ======= 2006-11-28 11:28:16 艇壓栖佚嶄亟祇=======
>
> >Dear all,
> >
> >How can we avoid nan in the prepin file?
> >
> >If there is really nan in the prepin file, what
> kinds
> >of action should we take?
> >
> >If there is really nan in the prepin file, how does
> it
> >influence the frcmod file?
> >
> >I am looking forward to getting your reply.
> >
> >Best regards.
> >
> >Fenghui Fan
> >
> >
> >
> >
>
>____________________________________________________________________________________
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> = = = = = = = = = = = = = = = = = = = =
>
>
>         崑
> 撰
>
>
>         linfu
>         linfu3200_at_mail.sioc.ac.cn
>           2006-11-28
>
>
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