All scripts can be executed on server, in order to free your PC
Do molecular dynamics, such as NPT, NVT, N$\mu$T Simulation
Calculate Mean Square Displacement calculation, which can be done on PC, while it may cost much time or memory, executing on Server is a better choice obviously.
Calculate Isotherm
Calculate structure with low energy
Dynamics information is stored in '*.trj' file, we can get trajectory information of every center of every molecule by this script.
Calculate total energy of periodic structure,and input files are including *.trj and *.xtd file
Import '*.xtd' file, unfix Cartesian position of X, Y and Z and then Export as another xsd file
Create a new molecule, Ethanol, and then optimize structure of Ethanol using COMPASS Forcefield.
modified from http://sobereva.com/143