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Mg and K cations .def file
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Topic: Mg and K cations .def file (Read 571 times)
ergrhn
Newbie
Posts: 1
Mg and K cations .def file
«
on:
May 17, 2020, 10:20:06 PM »
Hello everyone,
I am trying to calculate H2 adsorption in clinoptilolite. I want to use Mg and K as cations.
But there are not any .def file belong these atoms.
How can i solve this problem.
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David Dubbeldam
Full Member
Posts: 128
Re: Mg and K cations .def file
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Reply #1 on:
May 26, 2020, 05:57:06 PM »
All structure, molecule and force field files are examples. For you own use case, you need to construct these files with the exact parameters that you want.
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Mg and K cations .def file