http://www.sklogwiki.org/SklogWiki/index.php?action=history&feed=atom&title=Talk%3ASWM4-DP_model_of_waterTalk:SWM4-DP model of water - Revision history2026-04-27T18:49:54ZRevision history for this page on the wikiMediaWiki 1.41.0http://www.sklogwiki.org/SklogWiki/index.php?title=Talk:SWM4-DP_model_of_water&diff=13989&oldid=prevCarl McBride: Reply to comment.2014-01-13T09:51:18Z<p>Reply to comment.</p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 11:51, 13 January 2014</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>Sorry, I don't have an account here but I edited the page because it seems there were errors on the charges. I took the SWM4-NDP parameters straight from the Drude_Oct_13 CHARMM .tar.gz file and updated the oxygen OM LP charge and the epsilon on the ODW oxygen (there seems to be no VDW parameters on the hydrogens). The sigma I calculated was 3.1828082 Å seems close enough so I left it as-is. -Luke Czapla</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>Sorry, I don't have an account here but I edited the page because it seems there were errors on the charges. I took the SWM4-NDP parameters straight from the Drude_Oct_13 CHARMM .tar.gz file and updated the oxygen OM LP charge and the epsilon on the ODW oxygen (there seems to be no VDW parameters on the hydrogens). The sigma I calculated was 3.1828082 Å seems close enough so I left it as-is. -Luke Czapla</div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></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><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></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><ins style="font-weight: bold; text-decoration: none;">:Dear Dr. Czapla, thank you for your welcome contribution. I have re-checked the original publication, and I believe there were not so-much errors, as the parameters for the original SWM4-DP model. I have now included an additional table for the SWM4-NDP model. All the best, --[[User:Carl McBride | <b><FONT COLOR="#8B3A3A">Carl McBride</FONT></b>]] ([[User_talk:Carl_McBride |talk]]) 10:51, 13 January 2014 (CET) (PS Please feel free to open an account on SklogWiki, if you have any problems, do not hesitate to contact me)</ins></div></td></tr>
</table>Carl McBridehttp://www.sklogwiki.org/SklogWiki/index.php?title=Talk:SWM4-DP_model_of_water&diff=13987&oldid=prev24.168.13.79: Created page with "Sorry, I don't have an account here but I edited the page because it seems there were errors on the charges. I took the SWM4-NDP parameters straight from the Drude_Oct_13 CHA..."2014-01-13T02:18:17Z<p>Created page with "Sorry, I don't have an account here but I edited the page because it seems there were errors on the charges. I took the SWM4-NDP parameters straight from the Drude_Oct_13 CHA..."</p>
<p><b>New page</b></p><div>Sorry, I don't have an account here but I edited the page because it seems there were errors on the charges. I took the SWM4-NDP parameters straight from the Drude_Oct_13 CHARMM .tar.gz file and updated the oxygen OM LP charge and the epsilon on the ODW oxygen (there seems to be no VDW parameters on the hydrogens). The sigma I calculated was 3.1828082 Å seems close enough so I left it as-is. -Luke Czapla</div>24.168.13.79