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Using basis sets and frog (MD) in turbomole
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Apr11-12, 10:51 PM
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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