Sentence examples for a classical force from inspiring English sources

Molecular mechanics calculations were performed with a constant dielectric of ε = 1 using a classical force shift method and a cut-off distance of 12 Å.

It has to be mentioned that in MD simulations using a classical force field description, no reaction can take place and a small difference in the residence time of hypochlorite may be sufficient to explain differences in the leaking behavior.

A hybrid molecular dynamics (MD) simulation framework is developed by integrating two force-fields: a classical force-field, Merck Molecular Force Field MMFFF) and a bond-order based force-field, Reactive Force Field (ReaxFF).

Finally, the nonlinear response of the element with a multiaxial J2 linear plasticity material model is analysed, highlighting its advantages in relation to a classical force-based Euler Bernoulli beam using a one-dimensional plastic material model with kinematic hardening.

A classical forced torsional vibration system is composed of N disks with different inertia constants aligned in a straight light elastic shaft.

According to the theory, when a Hall bar is illuminated, the electron orbit centers perform a classical trajectory consisting in a classical forced harmonic motion along the direction of the current at the radiation frequency, w.

The finding of analogous conformational-configurational coupling during the folding of TC5b (Table 1), where on the other hand the folding process is defined by an atomic polypeptide in the context of a semi-empirical, classical force field (Methods), suggests that such coupling is inherent to the properties of the hydrated polypeptide itself.

In the absence of a generally accepted polarizable classical force field of comparable accuracy, the application of an internal dielectric value of 3 can provide a robust scaling of the nonpolarizable MM electrostatic field that projects into the primary QM subsystem.

In this paper, an improvement to the classical force feedback control scheme is proposed.

The Wigner Liouville equation is reformulated using a spectral decomposition of the classical force field instead of the potential energy.

Many central aspects of biomolecular simulations have undergone rapid advancements: the reproducibility of a biomolecular system's representation by classical force fields, the combined treatment of reactions and dynamics via QM/MM calculations and the use of coarse-grained models for very large systems.