potential of mean force lammps
The objective of this tutorial is to measure a free energy profile of particles across a barrier potential using two methods; free sampling and umbrella sampling [ 8 ]. Default is the outermost level. Apply a spring force to a group of atoms or between two groups of atoms. Figure: Particles of type 1 and 2 separated by two different potentials. Intensive means the value is independent of the number of atoms in the simulation e.
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