Author Topic: TIP4P model  (Read 526 times)

Nourissa

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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

David Dubbeldam

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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