This is the command nwchem that can be run in the OnWorks free hosting provider using one of our multiple free online workstations such as Ubuntu Online, Fedora Online, Windows online emulator or MAC OS online emulator
PROGRAM:
NAME
nwchem - high-performance computational chemistry software
SYNOPSIS
nwchem input_file
DESCRIPTION
nwchem provides many methods for computing the properties of molecular and periodic
systems using standard quantum mechanical descriptions of the electronic wavefunction or
density. Its classical molecular dynamics capabilities provide for the simulation of
macromolecules and solutions, including the computation of free energies using a variety
of force fields. These approaches may be combined to perform mixed quantum-mechanics and
molecular-mechanics simulations.
OPTIONS
There are no command line options to use.
Use nwchem online using onworks.net services
