q

6.0_1

Molecular Dynamics (MD) tools

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)

Origin: science/q

Category: science

Size: 9.35MiB

License: GPLv2+

Maintainer: yuri@FreeBSD.org

Dependencies: 1 packages

Required by: 0 packages

Website: github.com/qusers/Q6

$pkg install q

Dependencies (1)

gcc14

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