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I was planning to try QUICK to find some Transition States, but I cannot find a proper way to fix some atoms and distances in a geometry optimization calculation (in Gaussian is done using the "modredundant" keyword).
My idea was to use the amber implementation to add some restraints to the system, but it seems like a bad idea.
Is there a better way to do this in QUICK?
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I was planning to try QUICK to find some Transition States, but I cannot find a proper way to fix some atoms and distances in a geometry optimization calculation (in Gaussian is done using the "modredundant" keyword).
My idea was to use the amber implementation to add some restraints to the system, but it seems like a bad idea.
Is there a better way to do this in QUICK?
Thanks,
Miquel
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