From owner-chemistry@ccl.net Mon May 18 18:41:00 2015
From: "Italo Anjos italocurvelo#,#gmail.com" <owner-chemistry##server.ccl.net>
To: CCL
Subject: CCL: Where is Spackman's geodesic derived charge implemented?
Message-Id: <-51378-150518183053-29138-HykwbbQ+XhTiGWu2jrMXlw##server.ccl.net>
X-Original-From: Italo Anjos <italocurvelo- -gmail.com>
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Date: Mon, 18 May 2015 19:30:48 -0300
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Sent to CCL by: Italo Anjos [italocurvelo]*[gmail.com]
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Hi all,

I would like to calculate point derived charges from the electrostatic
potential using Spackman's geodesic algorithm but I couldn't find in which
programs the method is implemented.

Could anyone point me in the right direction?

I appreciate any help.

Italo Curvelo

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<div dir=3D"ltr">Hi all,<div><br></div><div>I would like to calculate point=
 derived charges from the electrostatic potential using Spackman&#39;s geod=
esic algorithm but I couldn&#39;t find in which programs the method is impl=
emented.</div><div><br></div><div>Could anyone point me in the right direct=
ion?</div><div><br></div><div>I appreciate any help.</div><div><br></div><d=
iv>Italo Curvelo</div></div>

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From owner-chemistry@ccl.net Mon May 18 20:31:00 2015
From: "=?UTF-8?Q?Andr=C3=A9_Farias_de_Moura?= moura(_)ufscar.br" <owner-chemistry(!)server.ccl.net>
To: CCL
Subject: CCL: Where is Spackman's geodesic derived charge implemented?
Message-Id: <-51379-150518200532-28352-QFUlcUN75T8SuYkR43Hxvg(!)server.ccl.net>
X-Original-From: =?UTF-8?Q?Andr=C3=A9_Farias_de_Moura?= <moura : ufscar.br>
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Date: Mon, 18 May 2015 21:05:27 -0300
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Sent to CCL by: =?UTF-8?Q?Andr=C3=A9_Farias_de_Moura?= [moura^^ufscar.br]
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Hi Italo,

You can find it implemented in Firefly (formely PC-Gamess).

best

Andre

On Mon, May 18, 2015 at 7:30 PM, Italo Anjos italocurvelo#,#gmail.com <
owner-chemistry*o*ccl.net> wrote:

> Hi all,
>
> I would like to calculate point derived charges from the electrostatic
> potential using Spackman's geodesic algorithm but I couldn't find in whic=
h
> programs the method is implemented.
>
> Could anyone point me in the right direction?
>
> I appreciate any help.
>
> Italo Curvelo
>



--=20
_____________

Prof. Dr. Andr=C3=A9 Farias de Moura
Department of Chemistry
Federal University of S=C3=A3o Carlos
S=C3=A3o Carlos - Brazil
phone: +55-16-3351-8090

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<div dir=3D"ltr">Hi Italo,<div><br></div><div>You can find it implemented i=
n Firefly (formely PC-Gamess).</div><div><br></div><div>best</div><div><br>=
</div><div>Andre</div></div><div class=3D"gmail_extra"><br><div class=3D"gm=
ail_quote">On Mon, May 18, 2015 at 7:30 PM, Italo Anjos italocurvelo#,#<a h=
ref=3D"http://gmail.com">gmail.com</a> <span dir=3D"ltr">&lt;<a href=3D"mai=
lto:owner-chemistry*o*ccl.net" target=3D"_blank">owner-chemistry*o*ccl.net</a>&=
gt;</span> wrote:<br><blockquote class=3D"gmail_quote" style=3D"margin:0 0 =
0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir=3D"ltr">Hi all=
,<div><br></div><div>I would like to calculate point derived charges from t=
he electrostatic potential using Spackman&#39;s geodesic algorithm but I co=
uldn&#39;t find in which programs the method is implemented.</div><div><br>=
</div><div>Could anyone point me in the right direction?</div><div><br></di=
v><div>I appreciate any help.</div><div><br></div><div>Italo Curvelo</div><=
/div>
</blockquote></div><br><br clear=3D"all"><div><br></div>-- <br><div class=
=3D"gmail_signature">_____________<br>
<br>
Prof. Dr. Andr=C3=A9 Farias de Moura<br>
Department of Chemistry<br>
Federal University of S=C3=A3o Carlos<br>
S=C3=A3o Carlos - Brazil<br>
phone: +55-16-3351-8090</div>
</div>

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