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Current File : /usr/ports/science/q/pkg-descr
Q is a set of Molecular Dynamics (MD) tools tailored to the following
specific kinds of free energy calculations:
1. Free Energy Perturbation (FEP)
2. Empirical Valence Bond (EVB)
3. Linear Interaction Energies (LIE)
4. Quantum Classical Path (QCP)

Youez - 2016 - github.com/yon3zu
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