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A dielectric permittivity, c = 1, and a time step of 2 fs were used.
Local alignment models (fs) were used.
Time integration steps of 2 fs were used, together with particle-mesh Ewald (PME) methods for electrostatic interactions.
Fu and Li's D* and F* and Fu's Fs were used to test for deviation of sequence variation from evolutionary neutrality.
Periodic boundary conditions with full particle mesh Ewald electrostatics, a 10 Å cutoff for the van der Waals (vdW) interactions, a 12 Å cutoff for nonbonded list update, the SHAKE algorithm, and RESPA multiple time stepping (with 2, 1, 2 fs) were used.
So, for screening of IAA producers only GS and FS were used and not the CS.
Similar(54)
A time step of 1 fs is used.
A time step of 2 fs was used and structures were sampled every 1 ps.
A time step of 1 fs was used throughout, except when variable time steps were required.
A time step of 2 fs was used for the integration of motion equation.
For all simulations, a time step of 2 fs is used.
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