molecular dynamics simulations by gromacs lammps cpmd cp2k cp.x qbox from scratch
FPMD setup
more ...FPMD setup
more ...using cp2k doing MINHOP global optimization method
more ...Learning dissipative particle dynamics by lammps
more ...Learning dissipative particle dynamics
more ...help me remember some tools in setting up MD simulation and free energy calculation.
more ...Understand the details of ewald summation by calculate madelung constant
more ...