Consistent force field for metalloporphyrins

Obstacle avoidance for an autonomous vehicle using force field method

This paper presents a force field concept for guiding a vehicle at a high speed maneuver. This method is  similar to potential field method. In this paper, motion constrains like vehicles velocity, distance to obstacle and tire conditions and such lane change conditions as zero slop condition and zero lateral acceleration are discussed. After that, possible equations as vehicles path ar...

Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and nAlkane Molecules

Coarse-grained force field for the nucleosome from self-consistent multiscaling

A coarse-grained simulation model for the nucleosome is developed, using a methodology modified from previous work on the ribosome. Protein residues and DNA nucleotides are represented as beads, interacting through harmonic (for neighboring) or Morse (for nonbonded) potentials. Force-field parameters were estimated by Boltzmann inversion of the corresponding radial distribution functions obtain...

A self-consistent nonlinear force-free solution for a solar active region magnetic field

Nonlinear force-free solutions for the magnetic field in the solar corona constructed using photospheric vector magnetic field boundary data suffer from a basic problem: the observed boundary data are inconsistent with the nonlinear force-free model. Specifically, there are two possible choices of boundary conditions on vertical current provided by the data, and the two choices lead to differen...

ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins

We present the ff14ipq force field, implementing the previously published IPolQ charge set for simulations of complete proteins. Minor modifications to the charge derivation scheme and van der Waals interactions between polar atoms are introduced. Torsion parameters are developed through a generational learning approach, based on gas-phase MP2/cc-pVTZ single-point energies computed of structure...