CCL:G: Interaction energy in a complex

[sergio.manzetti,,gmail.com]

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
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 		<span style=3D"font-family:Verdana"><span
 style=3D"font-size:12px">----- =
 Original Message -----</span></span></p>=20
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 		<span style=3D"font-family:Verdana"><span
 style=3D"font-size:12px">From: =
 Eliac Brown Eliacbrown%%yahoo.com</span></span></p>=20
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 		<span style=3D"font-family:Verdana"><span
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 02/20/12 06:44 PM</span></span></p>=20
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 		<span style=3D"font-family:Verdana"><span
 style=3D"font-size:12px">To: Ma=
 nzetti, Sergio </span></span></p>=20
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 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
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