Sometimes it is necessary to perform a partial optimisation of a molecule, i.e. keeping certain variables constant. One example might be to pre-optimise a transition state, taking advantage of not having to compute the force constants in the initial set-up.
For example, let's consider the transition state of the Diels-Alder Reaction of ethene and butadiene, where we want to freeze the distance between the two molecules.
How can I achieve this in the software suite GAMESS?
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