Sentence examples for fs time from inspiring English sources

Simulations are carried out with a leapfrog algorithm (1 fs time step) by means of GROMACS software.

Absorption, emission and polarized steady state spectroscopy (298 K, 77 K), as well as ultrafast (20 fs time resolution) measurements of population dynamics are reported.

In order to stabilize the temperature at 300 K, the simulations began with 20 ps of temperature scaling[28] using a 0.5 fs time step.

Moreover, it should be noted that in all simulations, the DREIDING force field [9] with 1 fs time step is applied.

After reaching the system to T = 298.5 K and atmospheric pressure, the thermodynamics quantities are recorded every 1 fs time steps.

In fact, the hole capture time is in the range of 4 to 13 ps, much longer than the 0.1 to 0.4 fs time needed to cross the QW.

After equilibration of the system for 5.8 ns, the simulations were run at 2 fs time-steps for 20 ns at 310 K and constant pressure (1 atm).

For all simulations, a 2 fs time-step and 9 Å nonbonded cutoff were used.

The SHAKE algorithm was used to constrain bonds to nonpolar hydrogens, and a 2.0 fs time-step was used during dynamics.

The velocity-Verlet integration algorithm and a hydrogen mass repartitioning scheme were used to achieve a 4 fs time-step without affecting the equilibrium distribution (Buch et al. 2010).

10 ns unrestrained production runs were performed for data collection using Hamiltonian-exchange Langevin dynamics with a 2 fs time-step in the NPT ensemble with the Parrinello Rahman pressure coupling scheme.