Faster access than browser!Similarities between Free energy perturbation and GROMACS
Free energy perturbation and GROMACS have 5 things in common (in Unionpedia): Bennett acceptance ratio, CHARMM, Force field (chemistry), Molecular dynamics, NAMD.
Bennett acceptance ratio
The Bennett acceptance ratio method (sometimes abbreviated to BAR) is an algorithm for estimating the difference in free energy between two systems (usually the systems will be simulated on the computer).
Bennett acceptance ratio and Free energy perturbation · Bennett acceptance ratio and GROMACS ·
CHARMM
Chemistry at Harvard Macromolecular Mechanics (CHARMM) is the name of a widely used set of force fields for molecular dynamics, and the name for the molecular dynamics simulation and analysis computer software package associated with them.
CHARMM and Free energy perturbation · CHARMM and GROMACS ·
Force field (chemistry)
In the context of molecular modeling, a force field (a special case of energy functions or interatomic potentials; not to be confused with force field in classical physics) refers to the functional form and parameter sets used to calculate the potential energy of a system of atoms or coarse-grained particles in molecular mechanics and molecular dynamics simulations.
Force field (chemistry) and Free energy perturbation · Force field (chemistry) and GROMACS ·
Molecular dynamics
Molecular dynamics (MD) is a computer simulation method for studying the physical movements of atoms and molecules.
Free energy perturbation and Molecular dynamics · GROMACS and Molecular dynamics ·
NAMD
Nanoscale Molecular Dynamics (NAMD, formerly Not Another Molecular Dynamics Program) is computer software for molecular dynamics simulation, written using the Charm++ parallel programming model.
The list above answers the following questions
- What Free energy perturbation and GROMACS have in common
- What are the similarities between Free energy perturbation and GROMACS
Free energy perturbation and GROMACS Comparison
Free energy perturbation has 31 relations, while GROMACS has 51. As they have in common 5, the Jaccard index is 6.10% = 5 / (31 + 51).
References
This article shows the relationship between Free energy perturbation and GROMACS. To access each article from which the information was extracted, please visit:
