RE: amber-developers: C2 is sp3 or sp2?

From: Yong Duan <duan.ucdavis.edu>
Date: Mon, 17 Apr 2006 11:47:16 -0700

I see now.
Others have called C2 as sp2.

Thanks!!

yong

> -----Original Message-----
> From: owner-amber-developers.scripps.edu
> [mailto:owner-amber-developers.scripps.edu] On Behalf Of
> Carlos Simmerling
> Sent: Monday, April 17, 2006 10:50 AM
> To: amber-developers.scripps.edu
> Subject: Re: amber-developers: C2 is sp3 or sp2?
>
>
> I only see C2 in the united atom prep files.
>
> Yong Duan wrote:
>
> >Hi Gentlemen,
> >
> >I have this stupid question which clearly demonstrate my ignorance.
> >
> >On the leap-script, the C2 is said to be a sp3 C, which as
> you might know,
> >triggered a recent question and a couple of similar
> questions before. Could
> >it be conceivable that a mistake was made when the leap
> script was written
> >that somehow C2 really meant sp2 C instead? Among the sp3 C
> defined in the
> >leap script, the other three (CT, CH, C3) seem make sense.
> But what is C2?
> >
> >yong
> >
> >
>
Received on Tue Apr 18 2006 - 03:02:43 PDT
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