From owner-nwchem-users@emsl.pnl.gov Fri Jul 7 11:22:33 2006 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.13.6/8.13.6) with ESMTP id k67IMXtf026303 for ; Fri, 7 Jul 2006 11:22:33 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.6/8.13.6/Submit) id k67IMXun026302 for nwchem-users-outgoing-0915; Fri, 7 Jul 2006 11:22:33 -0700 (PDT) Date: Fri, 07 Jul 2006 15:22:55 -0300 From: Marcelo Zaldini Subject: [NWCHEM] cube file with electrostatic potential using DPLOT ? To: nwchem-users@emsl.pnl.gov Message-id: <007601c6a1f2$5ecf4f80$fab4a196@hpnxcefo414dvj> MIME-version: 1.0 X-MIMEOLE: Produced By Microsoft MimeOLE V6.00.2900.2869 X-Mailer: Microsoft Outlook Express 6.00.2900.2869 Content-type: multipart/alternative; boundary="----=_NextPart_000_0073_01C6A1D9.3896CD20" X-Priority: 3 X-MSMail-priority: Normal Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk This is a multi-part message in MIME format. ------=_NextPart_000_0073_01C6A1D9.3896CD20 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Dear nwchem users, I would like to ask if it is possible to generate a CUBE file with = electrostatic potential (ESP or MEP) in NWCHEM, using the function DPLOT = (http://www.emsl.pnl.gov/docs/nwchem/doc/user/node28.html) ? Thanks in advance. Best Regards, Marcelo Z. H. UFPE. ------=_NextPart_000_0073_01C6A1D9.3896CD20 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable
Dear nwchem users,
 
I would like to ask if it is = possible to=20 generate a CUBE file with electrostatic potential (ESP or MEP) in = NWCHEM, using=20 the function DPLOT (http://www.emsl.pnl.gov/docs/nwchem/doc/user/node28.html)=20 ?
 
Thanks in advance.
Best Regards,
 
Marcelo Z. H.
UFPE.
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