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<HTML>
<HEAD>
<TITLE>Acetylcholinesterase</TITLE>
</HEAD>
<BODY LINK="#00ee00" VLINK="#00ee00" BGCOLOR="#ffffff">
<FONT COLOR="#000000">
<H1><I>Acetylcholinesterase</I></H1>
<HR>
<IMG SRC="ache.gif">
<BR>
<HR>
More on the Acetylcholinesterase simulations using NWChem can be found in
<A HREF="http://www.npaci.edu/enVision/v14.1/mccammon.html#GFP">ENVISION</A>,
the NPACI/SDSC Quarterly.
<BR>
<BR>
<BR>
<BR>
Acetylcholinesterase molecular modeling and simulations studies:
<BR>
<BR>
M.K.Gilson, T.P.Straatsma, J.A.McCammon, D.R.Ripoll, C.H.Faerman,
P.H.Axelsen, I.Silman and J.L.Sussman, <BR>
<I>Open "Back Door" in a Molecular Dynamics Simulation of Acetylcholinesterase</I><BR>
<I>Science</I>, <B>263</B>,1276-1278 (1994).
<P>
S.Tara, T.P.Straatsma and J.A.McCammon,<BR>
<I>Acetylcholinesterase Unliganded and Complexed with Huperzine A: A Comparison
of Molecular Dynamics Simulations</I><BR>
<I>Biopolymers</I>, <B>50</B>, 35-43 (1999).
<P>
S.Tara, V.Helms, T.P.Straatsma, P.Taylor and J.A.McCammon,<BR>
<I>Molecular Dynamics of Mouse Acetylcholinesterase Complexed with Huperzine A</I><BR>
<I>Biopolymers</I>, in press.
</HTML>

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<HTML>
<HEAD>
<TITLE>Green Fluorescent Protein</TITLE>
</HEAD>
<BODY LINK="#00ee00" VLINK="#00ee00" BGCOLOR="#ffffff">
<FONT COLOR="#000000">
<H1><I>Green Fluorescent Protein</I></H1>
<HR>
<IMG SRC="gfp.gif">
<BR>
<HR>
More on the Green Fluorescent Protein simulation using NWChem can be found in
<A HREF="http://www.npaci.edu/enVision/v14.1/mccammon.html#GFP">ENVISION</A>, the
NPACI/SDSC Quarterly.
<BR>
<BR>
<BR>
<BR>
Green Fluorescent Protein molecular modeling and simulation studies:
<BR>
<BR>
V.Helms, E.F.Y.Hom, T.P.Straatsma, J.A.McCammon and P.Langhoff,<BR>
<I>Exciting Green Fluorescent Protein</I><BR>
<I>ACS Symposium Series</I>,<B>712</B>, 288-295 (1998).
<P>
V.Helms, T.P.Straatsma and J.A.McCammon,<BR>
<I>Internal Dynamics of Green Fluorescent Protein</I><BR>
<I>J.Chem.Phys.B</I>,<B>103</B>, 3263-3269 (1999).
<P>
</HTML>

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<HTML>
<HEAD>
<TITLE>HIV-1 Integrase</TITLE>
</HEAD>
<BODY LINK="#ffee00" VLINK="#00eeff" BGCOLOR="#ffffff">
<FONT COLOR="#000000">
<H1><I>HIV-1 Integrase</I></H1>
<HR>
<IMG SRC="hiv.gif">
<BR>
<HR>
<BR>
<BR>
<BR>
HIV-I Integrase molecular modeling and simulation studies:
<BR>
<BR>
R.D.Lins, J.M.Briggs, T.P.Straatsma, H.A.Carlson, J.Greenwald, S.Choe and J.A.McCammon,<BR>
<I>Molecular Dynamics Studies on the HIV-1 Integrase Catalytic Domain</I><BR>
<I>Biophys.J.</I>, <B>76</B>, 2999-3011 (1999).
<P>
</HTML>

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<HTML>
<HEAD>
<TITLE>NWChem Applications Page</TITLE>
</HEAD>
<BODY LINK="#0000e0" VLINK="#000e00" BGCOLOR="#ffffff">
<FONT COLOR="#000000">
<BR>
<BR>
<CENTER>
<H1><I>NWChem Applications</I></H1>
</CENTER>
<P>
<A HREF="gfp.html" TARGET="mainframe">Green Fluorescent Protein</A>. A molecular dynamics
simulation of wild type Green Fluorescent Protein from <I>Aequorea victoria</I> by Helms,
Straatsma and McCammon reveals remarkably rigid structure.
<P>
<A HREF="hiv1_int.html" TARGET="mainframe">HIV-1 Integrase</A>. Nanosecond simulations
were carried out of HIV-1 Integrase by Lins, Briggs, Straatsma,
Carlson, Greenwald, Choe and McCammon to determine the structure of the region in the
active site that was missing from published crystal structures.
<P>
<A HREF="ache.html" TARGET="mainframe">Acetylcholinesterase</A>. A molecular
dynamics study has been carried out by Tara, Helms, Straatsma and McCammon
on mouse acetylcholinesterase involving several nanosecond simulations of the
unliganded and huperzine-liganded enzyme.
<BR>
<P>
<P>
</HTML>

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<HTML>
<!-- DO NOT EDIT: this is a cleared public file -->
<HEAD>
<TITLE>NWChem availability</TITLE>
</HEAD>
<BODY BACKGROUND="backgrounds/state_map_2.jpg" BGCOLOR="FAEBD7">
<P><IMG SRC="images/nwchem/nwchem_logo.gif" ALT="NWChem - computational chemistry on parallel computers">
</P>
<HR>
At the time of writing the current version of NWChem was <I>1.2
alpha</I>. We do not plan to distribute the alpha or beta versions of
NWChem except to formal collaborators with specific needs. When the
distribution policy changes it will be widely announced. Until then,
if
<UL>
<LI> you have an existing collaboration with EMSL staff, or
<LI> you are interested in developing parallel computational chemistry
software within or around NWChem, and
<LI> have independent access to parallel computing resources, and
<LI> are able to share the results of your work with others, </UL>
then please contact your collaborators at PNNL or <A
HREF="support/support.html">nwchem-support@emsl.pnl.gov</A> for more
information.
<P> </P>
<UL><LI><A HREF="nwchem.html">Return to NWChem home page</A></UL>
<HR>
<ADDRESS>Prepared by RJ Harrison: Email: nwchem-support@emsl.pnl.gov.</ADDRESS>
</BODY>
</HTML>

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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN"
"http://www.w3.org/TR/html4/loose.dtd">
<html>
<!-- $Id: citation.html,v 1.1 2006-01-12 20:19:10 edo Exp $ -->
<head>
<meta http-equiv="Content-Type" content="text/html">
<meta name="Author" content="Mahin Hackler">
<link rel="stylesheet" type="text/css" href="shared/nwchem_basic.css">
<title>NWChem Citation</title>
</head>
<body bgcolor="#FFFFFF">
<table width="650">
<tr>
<td>
<br>
<table>
<tbody>
<tr>
<td align="left" width="325"><img src="images/nwchem_logo_dark.gif" border=0 width=200 alt="NWChem - computational chemistry on parallel computers"></td>
<td align="right" width="325" valign="bottom">
<a href="nwchem_main.html">NWChem Home</a> |
<a href="disclaimer.html">Security & Privacy</a> |
<a href="http://www.pnl.gov" target="_blank">PNNL</a>
</td>
</tr>
</tbody>
</table>
<hr>
<h1>NWChem 4.7 Citation</h1>
<p><h2>NWChem 4.7 Production version</h2>
<p><b>In publicizing results obtained either in part or in full from use of the SOFTWARE,
USER shall place in a conspicuous location on all copies of the document containing the results,
the following acknowledgment:</b>
<p><b>Citation:</b><br>
Aprà, E.; Windus, T.L.; Straatsma, T.P.; Bylaska, E.J.; de Jong, W.; Hirata, S.;
Valiev, M.; Hackler, M.; Pollack, L.; Kowalski, K.; Harrison, R.; Dupuis, M.;
Smith, D.M.A; Nieplocha, J.; Tipparaju V.; Krishnan, M.; Auer, A.A.; Brown, E.;
Cisneros, G.; Fann, G.; Fruchtl, H.; Garza, J.; Hirao, K.; Kendall, R.; Nichols, J.;
Tsemekhman, K.; Wolinski, K.; Anchell, J.; Bernholdt, D.; Borowski, P.; Clark, T.;
Clerc, D.; Dachsel, H.; Deegan, M.; Dyall, K.; Elwood, D.; Glendening, E.; Gutowski, M.;
Hess, A.; Jaffe, J.; Johnson, B.; Ju, J.; Kobayashi, R.; Kutteh, R.; Lin, Z.;
Littlefield, R.; Long, X.; Meng, B.; Nakajima, T.; Niu, S.; Rosing, M.; Sandrone, G.;
Stave, M.; Taylor, H.; Thomas, G.; van Lenthe, J.; Wong, A.; Zhang, Z.;
"NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.7" (2005),
Pacific Northwest National Laboratory, Richland, Washington 99352-0999, USA.</p>
<p>"High Performance Computational Chemistry: An Overview of NWChem a Distributed Parallel Application,"
Kendall, R.A.; Apra, E.; Bernholdt, D.E.; Bylaska, E.J.; Dupuis, M.; Fann, G.I.; Harrison, R.J.; Ju, J.;
Nichols, J.A.; Nieplocha, J.; Straatsma, T.P.; Windus, T.L.; Wong, A.T.; Computer Phys. Comm. 2000, 128, 260-283.</p>
<hr>
<p><h2>Modified version of NWChem</h2>
<p><b>In publicizing results obtained either in part or in full from use of a modified version of
NWChem, USER shall place in a conspicuous location on all copies of the document containing the
results, the following citations;</b></p>
<p><b>Citation:</b><br>
Aprà, E.; Windus, T.L.; Straatsma, T.P.; Bylaska, E.J.; de Jong, W.; Hirata, S.;
Valiev, M.; Hackler, M.; Pollack, L.; Kowalski, K.; Harrison, R.; Dupuis, M.;
Smith, D.M.A; Nieplocha, J.; Tipparaju V.; Krishnan, M.; Auer, A.A.; Brown, E.;
Cisneros, G.; Fann, G.; Fruchtl, H.; Garza, J.; Hirao, K.; Kendall, R.; Nichols, J.;
Tsemekhman, K.; Wolinski, K.; Anchell, J.; Bernholdt, D.; Borowski, P.; Clark, T.;
Clerc, D.; Dachsel, H.; Deegan, M.; Dyall, K.; Elwood, D.; Glendening, E.; Gutowski, M.;
Hess, A.; Jaffe, J.; Johnson, B.; Ju, J.; Kobayashi, R.; Kutteh, R.; Lin, Z.; Littlefield, R.;
Long, X.; Meng, B.; Nakajima, T.; Niu, S.; Rosing, M.; Sandrone, G.; Stave, M.; Taylor, H.;
Thomas, G.; van Lenthe, J.; Wong, A.; Zhang, Z.;
"NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.7" (2005),
Pacific Northwest National Laboratory, Richland, Washington 99352-0999, USA. A modified version.</p>
<p>"High Performance Computational Chemistry: an Overview of NWChem a Distributed Parallel
Application", Kendall, R.A.; Aprà, E.; Bernholdt, D.E.; Bylaska, E.J.; Dupuis, M.; Fann, G.I.;
Harrison, R.J.; Ju, J.; Nichols, J.A.; Nieplocha, J.; Straatsma, T.P.; Windus, T.L.; Wong, A.T.
Computer Phys. Comm., 2000, 128, 260-283</p>
<hr>
<font size="0">
<center>
<a href="nwchem_main.html">NWChem</a> |
<a href="capabilities/nwchem_capab.html">Capabilities</a> |
<a href="platforms/platforms.html">Platforms</a> |
<a href="download.html">Download</a> |
<a href="doc/user/index.html">User's Manual</a> |
<a href="doc/prog/index.html">Programmer's Manual</a> |
<a href="release-notes/index.html">Release Notes</a> |
<a href="support/faq/NWChem_FAQ.html">FAQ</a>
</center>
<br>
<center>
<a href="support/known_bugs.html">Known Bugs</a> |
<a href="support/support.html">Support</a> |
<a href="training/training.html">Tutorial</a> |
<a href="contributors.html">Contributors</a> |
<a href="benchmarks/index.html">Benchmarks</a> |
<a href="http://www.emsl.pnl.gov/forms/search_nwchem.html">Search</a> |
<a href="http://www.emsl.pnl.gov/docs/mssg/index.html" target="_blank">Mol Sci. Soft. Group</a> |
<a href="citation.html">Citation</a>
</center>
</font>
<hr>
Contact: <a href="mailto:ms3distribution@emsl.pnl.gov">NWChem Support</a><br>
Updated: March 3, 2005
</table>
</td>
</tr>
</table>
</body>
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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN"
"http://www.w3.org/TR/html4/loose.dtd">
<html>
<head>
<!-- DO NOT EDIT: this is a cleared public file -->
<title>NWChem contributors</title>
<link rel="stylesheet" type="text/css" href="shared/nwchem_basic.css">
</head>
<body bgcolor="#ffffff">
<table width="650">
<tr><td>
<br>
<table>
<tbody>
<tr>
<td align="left" width="325"><img src="images/nwchem_logo_dark.gif" border=0 width=200 alt="NWChem - computational chemistry on parallel computers"></td>
<td align="right" width="325" valign="bottom">
<a href="nwchem_main.html">NWChem Home</a> |
<a href="disclaimer.html">Security & Privacy</a> |
<a href="http://www.pnl.gov" target="_blank">PNNL</a>
</td>
</tr>
</tbody>
</table>
<hr>
<h1>NWChem Contributors</h1>
<ul>
<li><a href="mailto:anchell@cache.fujitsu.com">James L. Anchell</a> </li>
<li><a href="mailto:Edoardo.Apra@pnl.gov">Edoardo Apr&agrave;</a>,
MS3 group, EMSL, PNNL. </li>
<li><a href="mailto:auer@sciborg.uwaterloo.ca">Alex A. Auer</a> </li>
<li><a href="mailto:bernholdtde@ornl.gov">David E. Bernholdt</a>,Oak
Ridge National Laboratory. </li>
<li><a href="mailto:pibcio@hermes.umcs.lublin.pl">Piotr Borowski</a> </li>
<li><a href="mailto:eric.bylaska@pnl.gov">Eric Bylaska</a>, EMSL,
PNNL. </li>
<li><a href="mailto:gerardo@sgi.com">Gerardo Cisneros</a>, Silicon
Graphics, S.A. de C.V. </li>
<li><a href="mailto:twclark@cs.uchicago.edu">Terry Clark</a> </li>
<li><a href="mailto:proddev@artek1.com">Daryl Clerc</a> </li>
<li><a href="mailto:h.dachsel@fz-juelich.de">Holger Dachsel</a> </li>
<li><a href="mailto:wibe.dejong@pnl.gov">Bert de Jong</a>, MSCF
Scientific Consulting Group, EMSL, PNNL. </li>
<li><a href="mailto:miles.deegan@hp.com">Miles J. Deegan</a> </li>
<li><a href="mailto:m_dupuis@pnl.gov">Michel Dupuis</a>, PNNL. </li>
<li><a href="mailto:dyall@schrodinger.com">Ken Dyall</a> </li>
<li><a href="mailto:dm_elwood@pnl.gov">David M. Elwood</a> </li>
<li><a href="mailto:fanngi@ornl.gov">George I. Fann</a>, Oak Ridge
National Laboratory. </li>
<li><a href="mailto:h.fruchtl@fle.fujitsu.com">Herbert A. Fr&uuml;chtl</a>,
Fujitsu </li>
<li><a href="mailto:jgo@xanum.uam.mx">Jorge Garza Olgu&igrave;n</a> </li>
<li><a href="mailto:ericg@chem.indstate.edu">Eric Glendening</a> </li>
<li><a href="mailto:maciej.gutowski@pnl.gov">Maciej S. Gutowski</a> </li>
<li><a href="mailto:mahin.hackler@pnl.gov">Mahin Hackler</a>, MS3
group, EMSL, PNNL. </li>
<li><a href="mailto:harrisonrj@ornl.gov">Robert J. Harrison</a>, Oak
Ridge National Laboratory. </li>
<li><a href="mailto:ahess@us.ibm.com">Anthony C. Hess</a> </li>
<li><a href="mailto:so.hirata@pnl.gov"> So Hirata</a>, MS3 group,
EMSL, PNNL. </li>
<li><a href="mailto:hirao@qcl.t.u-tokyo.ac.jp">K. Hirao</a>,
University of Tokyo. </li>
<li><a href="mailto:john.jaffe@pnl.gov">John E. Jaffe</a> </li>
<li><a href="mailto:johnson@quantumsim.com">Benny Johnson</a> </li>
<li><a href="mailto:jialin.ju@pnl.gov">Jialin Ju</a> </li>
<li><a href="mailto:rickyk@scl.ameslab.gov">Ricky A. Kendall</a>,
Scalable Computing Laboratory, Ames Laboratory, Ames, Iowa 50011
(formerly @ MS3 group). </li>
<li><a href="mailto:rika.kobayashi@anu.edu.au">Rika Kobayashi</a> </li>
<li><a href="mailto:R.Kutteh@ieee.org">Ramzi Kutteh</a>, Department of
Physics and Astronomy, John Hopkins University. </li>
<li><a href="mailto:zijing@excite.com"> ZiJin Lin</a> </li>
<li><a href="mailto:rj_littlefield@pnl.gov">Rik J. Littlefield</a> </li>
<li><a href="mailto:xipinglong@hotmail.com">XiPing Long</a> </li>
<LI><A HREF="mailto:Manojkumar.Krishnan@pnl.gov">Manoj Kumar Krishnan</A>
<li><A href="mailto:menggb@appliedbiosystems.com">Baoqi Meng </A> </li>
<li><a href="mailto:nakajima@qcl.t.u-tokyo.ac.jp"> T. Nakajima</a> </li>
<li><a href="mailto:nicholsja@ornl.gov">Jeff A. Nichols</a>, Oak
Ridge National Laboratory. </li>
<li><a href="mailto:j_nieplocha@pnl.gov">Jaroslaw Niep&#322;ocha</a> </li>
<li><a href="mailto:Lisa.Pollack@pnl.gov">Lisa Pollack</a>, MS3
group, EMSL, PNNL. </li>
<li><a href="mailto:sn72@georgetown.edu"> S. Niu</a> </li>
<li><a href="mailto:Alistair.Rendall@anu.edu.au">Alistair Rendall</a>,
Department of Computer Science, Australian National University. </li>
<li><a href="mailto:rosing@peakfive.com">Matt Rosing</a> </li>
<li><a href="mailto:gianni@edith.sublink.org">Giovanni Sandrone</a> </li>
<li><a href="mailto:smithdm@whitman.edu">Dayle Smith</a> </li>
<li><a href="mailto:msstave@cache.fujitsu.com">Mark S. Stave</a> </li>
<li><a href="mailto:tp_straatsma@pnl.gov">T. P. Straatsma</a>, MS3
group, EMSL, PNNL. </li>
<li><a href="mailto:htaylor@aventail.com">Hugh L. Taylor</a> </li>
<li><a href="mailto:gs_thomas@pnl.gov">Gregory S. Thomas</a> </li>
<li><a href="mailto:Vinod.Tipparaju@pnl.gov">Vinod Tipparaju</a> </li>
<li><a href="mailto:kirilt@ikazki01.chem.washington.edu">Kiril Tsemekhman</a> </li>
<li><a href="mailto:marat.valiev@pnl.gov">Marat Valiev</a>, MS3
group, EMSL, PNNL.</li>
<li><a href="mailto:joop@chem.ruu.nl">Joop van Lenthe</a> </li>
<li><a href="mailto:theresa.windus@pnl.gov">Theresa L. Windus</a>,
MS3 group, EMSL, PNNL. </li>
<li><a href="mailto:pg481@emsl.pnl.gov">Krzysztof Woli&#505;ski</a> </li>
<li><a href="mailto:atwong@nersc.gov">Adrian T. Wong</a>, NERSC. </li>
<li><a href="mailto:ZYZhang@lbl.gov">Zhiyong Zhang</a>, LBL. </li>
</ul>
<hr>
<font size="0">
<center>
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<a href="citation.html">Citation</a>
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Contact: <a href="mailto:ms3distribution@emsl.pnl.gov">NWChem Support</a><br>
Updated: February 22, 2005
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<hr>
<h1>Security & Privacy</h1>
<h2>Security Notice</h2>
<p>
This web site is part of a Federal computer system used to accomplish Federal functions. The Department of Energy monitors this web site for security purposes to ensure it remains available
to all users and to protect information in the system. By accessing this web site, you are expressly consenting to these monitoring activities. Unauthorized attempts to defeat or
circumvent security features, to use the system for other than intended purposes, to deny service to authorized users, to access, obtain, alter, damage, or destroy information, or
otherwise to interfere with the system or its operation are prohibited. Evidence of such acts may be disclosed to law enforcement authorities and result in criminal prosecution under the
Computer Fraud and Abuse Act of 1986 (Pub. L. 99-474) and the National Information Infrastructure Protection Act of 1996 (Pub. L. 104-294), (18 U.S.C. 1030), or other applicable criminal
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<h2>Privacy Notice</h2>
<p>
We collect no personal information about you without your knowledge when you visit this site, although you may choose to provide this information to us in specific instances. However,
we do collect and store certain information automatically:
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Provider (ISP) the date and time you access our site</li>
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We use the summary statistics to help us make our site more useful to visitors, such as assessing what information is of most and least interest to visitors, and for other purposes such
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<h2>Comments Sent by E-Mail</h2>
<p>
You may choose to provide us with personal information, as in an e-mail message containing your comments or questions. We use this information to improve our service to you or to
respond to your request. There are times when your message is forwarded, as e-mail, to other employees who may be better able to help you. Except as required by authorized law
enforcement investigations, we do not share our e-mail with outside organizations.
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<h2>Web Site Accessibility (Section 508) Disclaimer</h2>
<p>
Pacific Northwest National Laboratory is committed to creating high-quality Internet publications that are easily accessible to all users. If you encounter any difficulty accessing
our public online information, please let us know at: <a href=" http://www.pnl.gov/main/inquiry.html" target="_blank"> http://www.pnl.gov/main/inquiry.html</a>. No accessibility warranty or guarantee
is made for sites outside the PNNL network to which our web sites link, as such is beyond our scope or control.
<p>
Note: <i>PNNL is committed to meeting the needs of all web site users. In some cases, however, the huge amount of data being sorted require dynamically-generated web sites that depict
data graphically. PNNL strives to limit these sites to instances where the graphical interface is the only way to represent the data clearly and understandably.</i>
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<h2>General Disclaimer</h2>
<p>
This document was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof,
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<a href="nwchem_main.html">NWChem</a> |
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<hr>
Contact: <a href="mailto:ms3distribution@emsl.pnl.gov">Webmaster</a>
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Updated: Wed Feb 16 17:21:56 PST 2005
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<head>
<meta http-equiv="Content-Type" content="text/html">
<meta name="Author" content="Mahin Hackler">
<link rel="stylesheet" type="text/css" href="shared/nwchem_basic.css">
<title>Download NWChem</title>
</head>
<body text="#000000" bgcolor="#FFFFFF" link="blue" alink="blue" vlink="blue">
<table width="650">
<tr>
<td>
<br>
<table>
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<td align="left" width="325"><img src="images/nwchem_logo_dark.gif" border=0 width=200 alt="NWChem - computational chemistry on parallel computers"></td>
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<a href="http://www.pnl.gov" target="_blank">PNNL</a>
</td>
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<hr>
<h1>Download NWChem</h1>
<p>
The NWChem source code tree current release is version 4.7.
NWChem is available free of charge, subject to the terms and conditions
of the EMSL Software User Agreement.
<p><font color="red">Please Note:</font> Responses will not be provided to the following Embargoed Countries:
Cuba, Libya, North Korea, Iran, Syria, and Sudan.<br>
<p><h2>New Users</h2>
<p>If you are a new user, these are the steps you need to follow to obtain NWChem.
<p><font color="red">Please Note:</font> In order to obtain NWChem, you must be a permanent
faculty or staff member of the facility or institution you are associated with.
<font color="red"> We can NOT accept User Agreements from students or post docs. </font>
<ol>
<li>Complete the NWChem/Ecce web based registration form in the <a href="http://eus.emsl.pnl.gov/EUSSW?productID=nwchem" target="_blank">EMSL User System</a>.
<li>Sign and return the EMSL software user agreement emailed to you by the registration system.<br>
Send in the User Agreement to:<br><br>
Attention: Jessica Foreman<br>
Re: EMSL Software Agreement (Please include the User Agreement #)<br><br>
<ul>
<li> FAX: +1-509-376-0420, or</li><br>
<li> surface mail:<br>
PNNL <br>
P.O. Box 999 MS K8-91 <br>
Richland WA 99352</LI>
</ul></li><br>
<li>Once we receive your signed User Agreement, we will process your agreement and fax you the instructions for downloading NWChem.
Please be patient while we verify and process your user agreement. This may take a couple of days.</li>
<li>Once you receive the download instructions you may <a href="https://www.emsl.pnl.gov/auth/nwchem-ecce">Download NWChem</a>.</li>
</ol>
<hr>
<p>
<h2>Returning Users</h2>
<p>If you have signed the EMSL software user agreement, please use the following steps to obtain
the download information for NWChem.
<ol>
<li><a href="downloadwop.html">Request new download information</a></li>
<li> Be patient while your request is processed. This may take at least a couple of days.</li>
<li> You will receive the time sensitive download information by FAX.</li>
<li> <a href="https://www.emsl.pnl.gov/auth/nwchem-ecce"> Download the software.</a></li>
</ol>
<hr>
<p>
<h2>Publicizing Results</h2>
<p>Please see the <a href="citation.html">NWChem Citation</a> page for the citation to use when publicizing results
obtained from NWChem.</p>
<p>
<hr>
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<a href="capabilities/nwchem_capab.html">Capabilities</a> |
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<a href="download.html">Download</a> |
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<a href="doc/prog/index.html">Programmer's Manual</a> |
<a href="release-notes/index.html">Release Notes</a> |
<a href="support/faq/NWChem_FAQ.html">FAQ</a>
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<a href="support/known_bugs.html">Known Bugs</a> |
<a href="support/support.html">Support</a> |
<a href="training/training.html">Tutorial</a> |
<a href="contributors.html">Contributors</a> |
<a href="benchmarks/index.html">Benchmarks</a> |
<a href="http://www.emsl.pnl.gov/forms/search_nwchem.html">Search</a> |
<a href="http://www.emsl.pnl.gov/docs/mssg/index.html" target="_blank">Mol Sci. Soft. Group</a> |
<a href="citation.html">Citation</a>
</center>
</font>
<hr>
Contact: <a href="mailto:ms3distribution@emsl.pnl.gov">NWChem Support</a><br>
Updated: March 3, 2005
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</td>
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<hr>
<h1>NWChem Download Form</h1>
<p> This page initiates the mechanism for downloading either NWChem
binaries or the NWChem source code tree for the current release, version 4.7.
If you have any problems using this form or getting
access to the code please send mail to <a href="mailto:ms3distribution@emsl.pnl.gov">ms3distribution@emsl.pnl.gov</A>.
</p>
<p><h2>Request Download Information</h2>
<p>If you have already signed the EMSL software user agreement, please fill out the following
form to request the latest download information for NWChem.</p>
<p><font color="red">Please Note:</font>
<ul>
<li> You will not get an immediate response once you submit the form.
<li> To Use the NWChem binaries or source code you MUST have a signed EMSL User Agreement on file.
If you have not signed the EMSL Software Agreement,
please use the <a href="http://eus.emsl.pnl.gov/EUSSW?productID=nwchem" target="_blank">EMSL User System</a> to obtain the user agreement.
<li> Before we can issue a username and password to you, we must confirm
that we have a signed user agreement on file.
</ul>
</p>
<form action="/cgi-bin/nwchem/nwc_down.new.pl" method="POST">
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<INPUT TYPE="text" NAME="userfax" Size="40" ></td>
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<INPUT TYPE="text" NAME="institution" Size="30" ></td>
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<input type="radio" name="sourcebin" value="BIN" CHECKED><b>Binaries Only</b><br>
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<hr>
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<center>
<a href="nwchem_main.html">NWChem</a> |
<a href="capabilities/nwchem_capab.html">Capabilities</a> |
<a href="platforms/platforms.html">Platforms</a> |
<a href="download.html">Download</a> |
<a href="doc/user/index.html">User's Manual</a> |
<a href="doc/prog/index.html">Programmer's Manual</a> |
<a href="release-notes/index.html">Release Notes</a> |
<a href="support/faq/NWChem_FAQ.html">FAQ</a>
</center>
<br>
<center>
<a href="support/known_bugs.html">Known Bugs</a> |
<a href="support/support.html">Support</a> |
<a href="training/training.html">Tutorial</a> |
<a href="contributors.html">Contributors</a> |
<a href="benchmarks/index.html">Benchmarks</a> |
<a href="http://www.emsl.pnl.gov/forms/search_nwchem.html">Search</a> |
<a href="http://www.emsl.pnl.gov/docs/mssg/index.html" target="_blank">Mol Sci. Soft. Group</a> |
<a href="citation.html">Citation</a>
</center>
</font>
<hr>
Contact: <a href="mailto:ms3distribution@emsl.pnl.gov">NWChem Support</a><br>
Updated: March 5, 2005
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