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material studio MD simulations

Molecular Dynamic (MD) simulations
The iron crystal was imported and cleaved along (1 1 0) plane and a slab of 5 Å was employed. The Fe (110) surface was relaxed by minimizing its energy with the help of smart minimizer method. Fe (110) surface was inflated to a (10 × 10) super cell in order to provide a large surface for the interaction of the acrylic acids. A vacuum slab with zero thickness was built. A supercell with a size of a = b = 24.82 Å c = 25.14 Å, consisting of 500 H2O and molecules of tested inhibitors was created. The simulation was carried out in a simulation box (24.82×24.82×35.69 Å3 ) using discover module with a time step of 1 fs and simulation time of 500 ps performed at 298 K, NVT ensemble, and COMPASS force field 

help  me  in this MD simulation ? how can i do it