BSD Ports

science/q 6.0_1 DragonFly

Molecular Dynamics (MD) tools

System
DragonFly
Repository
DPorts
Maintainer
[email protected] (as in FreeBSD)
License
GPLv2+
Categories
science
Package size
1049.7 KiB, 6687.9 KiB installed

Description

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)

In the other systems

SystemPortVersion
DragonFlyscience/q6.0_1
FreeBSDscience/q6.0_2
NetBSDwip/q1.5.0
GhostBSDscience/q6.0_2

Install

Binary package:

pkg install q

From DPorts:

cd /usr/dports/science/q && make install clean

Dependencies

Run dependencies 1

No port depends on this one.