# CCL:G: Interaction energy in a complex

• From: sergio.manzetti,,gmail.com
• Subject: CCL:G: Interaction energy in a complex
• Date: Mon, 20 Feb 2012 20:56:36 +0100

```Eliac,
It depends on which software you plan to use. For Gaussian and GAMESS
calculations, you do a "manual" estimation of binding energy by first
estimating the energy of components A and B separately, then of the complex AB.
At last you estimate the binding energy by subtracting the energy of (A + B)
from AB.
Sergio
----- Original Message -----
> From: Eliac Brown Eliacbrown%%yahoo.com
Sent: 02/20/12 06:44 PM
To: Manzetti, Sergio
Subject: CCL: Interaction energy in a complex
Sent to CCL by: "Eliac Brown" [Eliacbrown|*|yahoo.com] Dear CCL users
I was wondering if there is any code can be used to calculate the interaction
between two atoms in two-body non-covalent interacted complex? Cheershttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt--========GMXBoundary134761329767796332356
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<span style=3D'font-family:Verdana'><span
style=3D'font-size:12px'>Eliac,<b=
r />=20
It depends on which software you plan to use. For Gaussian and GAMESS calcu=
lations, you do a "manual" estimation of binding energy by first
estimating=
the energy of components A and B separately, then of the complex AB.&nbsp;=
At last you estimate the binding energy by subtracting the energy of (A + =
B) from AB.<br />=20
<br />=20
Sergio<br />=20
<br />=20
=C2=A0</p>=20
<blockquote style=3D"border-left: 1px solid #CCC; padding-left: 5px;
margin=
-left: 5px; margin-bottom: 0px; margin-top: 0px; margin-right: 0px;" type=
=3D"cite">=20
<span style=3D"font-family:Verdana"><span
style=3D"font-size:12px">----- =
Original Message -----</span></span></p>=20
<span style=3D"font-family:Verdana"><span
style=3D"font-size:12px">From: =
Eliac Brown Eliacbrown%%yahoo.com</span></span></p>=20
<span style=3D"font-family:Verdana"><span
style=3D"font-size:12px">Sent: =
02/20/12 06:44 PM</span></span></p>=20
<span style=3D"font-family:Verdana"><span
style=3D"font-size:12px">To: Ma=
nzetti, Sergio </span></span></p>=20
<span style=3D"font-family:Verdana"><span
style=3D"font-size:12px">Subjec=
t: CCL: Interaction energy in a complex</span></span></p>=20
<br />=20
<div>=20
<div>=20
<pre style=3D"white-space: pre-wrap; word-wrap: break-word;
font-size:11=
;pre">=20
Sent to CCL by: "Eliac  Brown" [Eliacbrown|*|yahoo.com]=20
Dear CCL users=20
I was wondering if there is any code can be used to calculate the interacti=
on=20
between two atoms in two-body non-covalent interacted complex?=20
Cheers=20
-=3D This is automatically added to each message by the mailing script =3D-=
=20=20=20=20=20=20=20=20
Subscribe/Unsubscribe:=20=20=20
Job: http://www.ccl.net/jobs=20=20=20=20=20</pre>=20
</div>=20
</div>=20
</blockquote>=20
=C2=A0</p>=20
<br />=20
<br />=20
</span></span>
```