Sentence examples for minimize and equilibrate from inspiring English sources

A multistep protocol was used to minimize and equilibrate the system.

Molecular dynamics simulations were then used to energy minimize and equilibrate the structures of full-length PARP-1 and the PARP-1 8-mer comPARP-1 8-merRAL using NAMD version 2.9.

The system was neutralized by addition of the appropriate number of counterions, energy minimized, and equilibrated at 300 K.

The solvent was then minimized and equilibrated for 10 ps, while the proteins and ions were constrained.

These systems were energy minimized and equilibrated by performing cycles of MD under successively relaxed position restraints (1000, 100, 10, and 0 kJ mol−1 nm−2) for a few picoseconds.

The initial atomistic systems were energy minimized and equilibrated for 1 ns with the protein Cα atoms restrained (force constant = 10 kJ/mol/Å) and subsequently followed by unrestrained production runs.

These systems were energy minimized and equilibrated by performing cycles of MD under successively relaxed position restraints (1000, 100, 10, and 0 kJ mol−1 nm−2) for a total of 10 ps.

These systems were energy minimized and equilibrated by performing cycles of molecular dynamics (MD) under successively relaxed position restraints (1000, 100, 10, and 0 kJ mol−1 nm−2) for a total of 10 ns.

Samples of the hydrogel were carefully applied to the lower plate, ensuring that sample shearing was minimized, and allowed to equilibrate for 3 min prior to analysis.

Samples were carefully applied to the lower plate, ensuring that formulation shearing was minimized, and allowed to equilibrate for at least 3 minutes prior to analysis.

The system was solvated by adding a cubic box of pre-equilibrated TIP3P water, and then minimized (conjugate gradient) and equilibrated using the Langevin temperature equilibration scheme and SHAKE constraints on hydrogen atoms.