Talk:SWM4-DP model of water: Difference between revisions
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(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...") |
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Revision as of 04:18, 13 January 2014
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