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TIP4P model
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Topic: TIP4P model (Read 919 times)
Nourissa
Newbie
Posts: 9
TIP4P model
«
on:
April 21, 2022, 01:20:10 PM »
can anyone share TIP4P model info such as .def file and lennord Jones parameters I want to re check my work couldn't find anything online
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David Dubbeldam
Full Member
Posts: 230
Re: TIP4P model
«
Reply #1 on:
May 27, 2022, 01:53:56 PM »
It has 4 sites, the O, 2 H, and a dummy site often called 'M'.
0 O 0.0 0.0 0.0
1 H -0.7569503272 0.0 -0.5858822766
2 H 0.7569503272 0.0 -0.5858822766
3 M 0.0 0.0 -0.15
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TIP4P model