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DL POLY FIELD file for the TIP4P/Ice model - Revision history
2024-03-28T16:40:26Z
Revision history for this page on the wiki
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http://www.sklogwiki.org/SklogWiki/index.php?title=DL_POLY_FIELD_file_for_the_TIP4P/Ice_model&diff=8487&oldid=prev
Nice and Tidy: Corrected name of model
2009-06-10T16:25:28Z
<p>Corrected name of model</p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 17:25, 10 June 2009</td>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The following is a FIELD file for the [[TIP4P/Ice]] model of [[water]] for use in the [[DL_POLY]] computer simulation package.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The following is a FIELD file for the [[TIP4P/Ice]] model of [[water]] for use in the [[DL_POLY]] computer simulation package.</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> Water TIP4P/<del style="font-weight: bold; text-decoration: none;">ice</del></div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> Water TIP4P/<ins style="font-weight: bold; text-decoration: none;">Ice</ins></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> UNITS kcal</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> UNITS kcal</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> molecular types 1</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> molecular types 1</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> TIP4P/<del style="font-weight: bold; text-decoration: none;">ice </del>water</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div> TIP4P/<ins style="font-weight: bold; text-decoration: none;">Ice </ins>water</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> nummols 1</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> nummols 1</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> atoms 4</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> atoms 4</div></td></tr>
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Nice and Tidy
http://www.sklogwiki.org/SklogWiki/index.php?title=DL_POLY_FIELD_file_for_the_TIP4P/Ice_model&diff=8486&oldid=prev
Nice and Tidy: Corrected name of model
2009-06-10T16:25:09Z
<p>Corrected name of model</p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 17:25, 10 June 2009</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1">Line 1:</td>
<td colspan="2" class="diff-lineno">Line 1:</td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>The following is a FIELD file for the [[TIP4P/<del style="font-weight: bold; text-decoration: none;">ice</del>]] model of [[water]] for use in the [[DL_POLY]] computer simulation package.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>The following is a FIELD file for the [[TIP4P/<ins style="font-weight: bold; text-decoration: none;">Ice</ins>]] model of [[water]] for use in the [[DL_POLY]] computer simulation package.</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> Water TIP4P/ice</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> Water TIP4P/ice</div></td></tr>
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Nice and Tidy
http://www.sklogwiki.org/SklogWiki/index.php?title=DL_POLY_FIELD_file_for_the_TIP4P/Ice_model&diff=8484&oldid=prev
Nice and Tidy: DL POLY FIELD file for the TIP4P/ice model moved to DL POLY FIELD file for the TIP4P/Ice model: Corrected name of model
2009-06-10T16:24:48Z
<p><a href="/SklogWiki/index.php/DL_POLY_FIELD_file_for_the_TIP4P/ice_model" class="mw-redirect" title="DL POLY FIELD file for the TIP4P/ice model">DL POLY FIELD file for the TIP4P/ice model</a> moved to <a href="/SklogWiki/index.php/DL_POLY_FIELD_file_for_the_TIP4P/Ice_model" title="DL POLY FIELD file for the TIP4P/Ice model">DL POLY FIELD file for the TIP4P/Ice model</a>: Corrected name of model</p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
<tr class="diff-title" lang="en">
<td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td>
<td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 17:24, 10 June 2009</td>
</tr><tr><td colspan="2" class="diff-notice" lang="en"><div class="mw-diff-empty">(No difference)</div>
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Nice and Tidy
http://www.sklogwiki.org/SklogWiki/index.php?title=DL_POLY_FIELD_file_for_the_TIP4P/Ice_model&diff=6806&oldid=prev
Carl McBride: New page: The following is a FIELD file for the TIP4P/ice model of water for use in the DL_POLY computer simulation package. Water TIP4P/ice UNITS kcal molecular types 1 TIP4P/ice ...
2008-07-11T14:38:32Z
<p>New page: The following is a FIELD file for the <a href="/SklogWiki/index.php/TIP4P/ice" class="mw-redirect" title="TIP4P/ice">TIP4P/ice</a> model of <a href="/SklogWiki/index.php/Water" title="Water">water</a> for use in the <a href="/SklogWiki/index.php/DL_POLY" title="DL POLY">DL_POLY</a> computer simulation package. Water TIP4P/ice UNITS kcal molecular types 1 TIP4P/ice ...</p>
<p><b>New page</b></p><div>The following is a FIELD file for the [[TIP4P/ice]] model of [[water]] for use in the [[DL_POLY]] computer simulation package.<br />
<br />
Water TIP4P/ice<br />
UNITS kcal<br />
molecular types 1<br />
TIP4P/ice water<br />
nummols 1<br />
atoms 4<br />
OW 15.9996 0.0000 1<br />
HW 1.00080 0.5897 1<br />
HW 1.00080 0.5897 1<br />
OM 0.00000 -1.1794 1<br />
rigid bodies 1<br />
4 1 2 3 4<br />
FINISH<br />
vdw 6<br />
OW OW lj 0.21083 3.1668<br />
HW HW hbnd 0000.00 0.0000<br />
HW OW hbnd 000.000 0.0000<br />
OM OM hbnd 0.00000 0.0000<br />
OM OW hbnd 0.00000 0.0000<br />
OM HW hbnd 0.00000 0.0000<br />
close<br />
<br />
<br />
<br />
[[category: models]]<br />
[[category: water]]</div>
Carl McBride