From owner-chemistry%!at!%ccl.net Sat Feb 25 10:02:00 2012
From: "sergio.manzetti]~[gmail.com" <owner-chemistry++server.ccl.net>
To: CCL
Subject: CCL:G: Gaussian input file command
Message-Id: <-46374-120225094729-20798-2k3YdQJGeRjduStzc+k4gQ++server.ccl.net>
X-Original-From: sergio.manzetti[A]gmail.com
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Date: Sat, 25 Feb 2012 15:47:19 +0100
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Sent to CCL by: sergio.manzetti..gmail.com
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Dear CCLers, I get an error message upon trying to batch a job to Gaussian 03 with solvation parameters:

 %nproc=4
 %Mem=1900MB
 #P MPW1PW91/6-311+G(d)/auto scrf=(solvent=water) guess=save polar #
 # Opt
 # polar
 # Gfinput IOP(6/7=3) Pop=full Density Test
 # Units(Ang,Deg)


 Does G03 support solvation at all?

 All the best


 Sergio

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<span style=3D'font-family:Verdana'><span style=3D'font-size:12px'><span id=
=3D"editor_signature">Dear CCLers, I get an error message upon trying to ba=
tch a job to Gaussian 03 with solvation parameters:</span><br />=20
<br />=20
%nproc=3D4<br />=20
%Mem=3D1900MB<br />=20
#P MPW1PW91/6-311+G(d)/auto scrf=3D(solvent=3Dwater) guess=3Dsave polar #<b=
r />=20
# Opt<br />=20
#&nbsp; polar<br />=20
# Gfinput IOP(6/7=3D3)&nbsp; Pop=3Dfull&nbsp; Density&nbsp; Test<br />=20
# Units(Ang,Deg)<br />=20
<br />=20
<br />=20
Does G03 support solvation at all?<br />=20
<br />=20
All the best<br />=20
<br />=20
<br />=20
Sergio<br />=20
<br />=20
<br />=20
<span id=3D"editor_signature"><span style=3D"font-family:Verdana; font-size=
:12px">&nbsp;</span></span></span></span>

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