From owner-nwchem-users@emsl.pnl.gov Tue Nov 2 08:35:31 2004 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.12.10/8.12.10) with ESMTP id iA2GZV0R008826 for ; Tue, 2 Nov 2004 08:35:31 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id iA2GZVBO008825 for nwchem-users-outgoing; Tue, 2 Nov 2004 08:35:31 -0800 (PST) Date: Tue, 02 Nov 2004 16:32:56 +0000 From: "McCormack, Olivia" Subject: Requesting latest input file To: nwchem-users@emsl.pnl.gov Message-id: <575D0CDD99F591478ADD639EF4E36E7EA12960@iloexc01.emea.cpqcorp.net> MIME-version: 1.0 X-MIMEOLE: Produced By Microsoft Exchange V6.5.7226.0 Content-type: multipart/alternative; boundary="----_=_NextPart_001_01C4C0F9.9BBD2EA5" Thread-Topic: Requesting latest input file Thread-Index: AcTA+Zu3LgevrqXcTlqOVJ26hosI6w== Content-class: urn:content-classes:message X-MS-Has-Attach: X-MS-TNEF-Correlator: X-OriginalArrivalTime: 02 Nov 2004 16:32:57.0334 (UTC) FILETIME=[9C353960:01C4C0F9] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk This is a multi-part message in MIME format. ------_=_NextPart_001_01C4C0F9.9BBD2EA5 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: quoted-printable Hello everyone, I am trying to find an input file for NWChem4.6 called bpytt_md.nw. I have a version of this input file for NWChem 4.5 but it will not work for V4.6 - can anyone help me? I am running on HP IA64 Linux nodes.=20 Regards, Olivia McCormack The contents of this message and any attachments to it are confidential and may be legally privileged. If you have received this message in error, you should delete it from your system immediately and advise the sender. To any recipient of this message within HP, unless otherwise stated, you should consider this message and attachments as "HP CONFIDENTIAL".) ------_=_NextPart_001_01C4C0F9.9BBD2EA5 Content-Type: text/html; charset="us-ascii" Content-Transfer-Encoding: quoted-printable Requesting latest input file

Hello everyone,
           &nb= sp;          I am trying to = find an input file for NWChem4.6 called bpytt_md.nw. I have a version of = this input file for NWChem 4.5 but it will not work for V4.6 - can = anyone help me? I am running on HP IA64 Linux nodes.

Regards,

Olivia McCormack
The contents of this message and any attachments to it are = confidential and may be legally privileged. If you have received this = message in error, you should delete it from your system immediately and = advise the sender. To any recipient of this message within HP, unless = otherwise stated, you should consider this message and attachments as = "HP CONFIDENTIAL".)


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