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)
$
pkg install qOrigin
science/q
Size
9.35MiB
License
GPLv2+
Maintainer
yuri@FreeBSD.org
Dependencies
1 packages
Required by
0 packages