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using basis sets and frog (MD) in turbomole |
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| Apr11-12, 10:51 PM | #1 |
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using basis sets and frog (MD) in turbomole
Hi, I have some problems,
1. How to use basis sets in turbomole that not default (def-SVP)? 2. How to use scripts frog to do simulations? please, give explanations with an example 3. How to use QMCF package to do QM/MM simulations ? can anyone help me? Thanks before |
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