X-Ability Winmostar

X-Ability Winmostar is software for scientific calculations in the fields of molecular modeling, quantum chemistry and molecular dynamics. The program supports GAMESS, MOPAC, Quantum ESPRESSO, LAMMPS, GROMACS computing engines. Winmostar acts as a wrapper/interface through which the user can run these engines, visualize the results, prepare input files and analyze the output. Winmostar supports a wide range of physical quantities: spectra (IR, UV-Vis, etc.), properties of solids (band structure, density of states), parameters of thermodynamics, distributions, dynamic properties, etc. Capabilities and functionality Creation and editing of molecular / crystal structures Preparing calculation parameters (method type, basis, conditions, tasks) through the GUI, instead of manually editing text files You can run calculations locally or.