From owner-nwchem-users@emsl.pnl.gov Thu Aug 25 14:07:17 2005 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 j7PL7Hah019819 for ; Thu, 25 Aug 2005 14:07:17 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id j7PL7HuI019818 for nwchem-users-outgoing; Thu, 25 Aug 2005 14:07:17 -0700 (PDT) Date: Thu, 25 Aug 2005 14:07:15 -0700 From: "Cannon, William R" Subject: Amber Amino acid Fragment file for C-terminal acid To: nwchem-users@emsl.pnl.gov Message-id: MIME-version: 1.0 X-MIMEOLE: Produced By Microsoft Exchange V6.5.7226.0 Content-type: multipart/alternative; boundary="----_=_NextPart_001_01C5A9B8.F8373FE3" Thread-Topic: Amber Amino acid Fragment file for C-terminal acid thread-index: AcWpuPgq1uM01zHSSOmf4qa+4DB7AQ== Content-class: urn:content-classes:message X-MS-Has-Attach: X-MS-TNEF-Correlator: X-OriginalArrivalTime: 25 Aug 2005 21:07:15.0725 (UTC) FILETIME=[F87263D0:01C5A9B8] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk This is a multi-part message in MIME format. ------_=_NextPart_001_01C5A9B8.F8373FE3 Content-Type: text/plain; charset="US-ASCII" Content-Transfer-Encoding: quoted-printable Does anybody have a AMBER fragment file that they would be willing to share for an amino acid containing the acid form of the carboxy group (RCOOH) ? The only form that I could find in the distribution of fragment files was for the basic form (RCOO-). Thanks, Bill ------_=_NextPart_001_01C5A9B8.F8373FE3 Content-Type: text/html; charset="US-ASCII" Content-Transfer-Encoding: quoted-printable Amber Amino acid Fragment file for C-terminal acid

Does anybody have a AMBER fragment file = that they would be willing to share for an amino acid containing the = acid form of the carboxy group (RCOOH) ? The only form that I could find = in the distribution of fragment files was for the basic form (RCOO-). = Thanks,

Bill

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