Installation of AMBER
Amber is the collective name for a suite of programs that allow users to carry out molecular dynamics simulations, particularly on biomolecules.
Software
Installation of Chemshell
ChemShell is a script-based chemistry code focusing on hybrid QM/MM calculations with support for standard quantum chemical or force field calculations.
Installation of Other Ordinary Software
This is used to record the installation of other ordinary software used in molecular simulations
Installation of CP2K
CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.
Installation of VASP
The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.
Installation of Orca
ORCA is a general-purpose quantum chemistry program package that features virtually all modern electronic structure methods (density functional theory, many-body perturbation and coupled cluster theories, and multireference and semiempirical methods).