The following parameters of energy minimization were used: OPLS2005 force field was used, water was used as an implicit solvent, and a maximum of 5000 iterations of the Polak-Ribier conjugate gradient minimization method was used with a convergence threshold of 0.01 kJ mol−1 Å−1.
Default parameters were used with 15 iterations for convergence at an FDR of 5 % with significance identified and expressed as posterior probability differential expression (PPDE) greater or equal to 0.95 [ 101].
Promax rotation was used with a maximum interaction for convergence of 0.25 (Kappa = 4).
In Monte Carlo method, pseudo-random sequences are used to generate pseudo-random numbers, but in quasi-Monte Carlo method, quasi-random sequences are used with better uniformity and more rapid convergence compared with pseudo-random sequences.
No starting trees were used, with the idea in mind that convergence to very similar values of the five chains would have been more significant than starting each chain from the same tree.
DNS64 is an important IPv6 transition technology used in convergence with NAT64 to enable IPv6-only clients to communicate with IPv4-only servers.
An unstructured correlation structure was used where possible, since this is the most general option, with exchangeable structures used where convergence was not achieved.
For the 1×2 reconstruction of Si 557 -Au Si 557 -Auigure 1c, we calculated the equilibrium geometrieshown total energins oFiguremagnetic, ferromagnetic and antiferromagnetic configurations using 2×8 zone sampling, with convergence checks using 2×1c sampling.
For the 1×6 reconstruction of Si 553 -Au Si 553 -Auigure 1a,b, we calculated the equilibrium geometrieshown total energins oFiguremagnetic, ferromagnetic and antiferromagnetic configurations using 6×6 zone sampling, with convergence checks using 1a×10 sampling.
The global scale and subscales of the EDE (described above) was also used to indicate convergence with ED severity, with the underlying assumption that poorer HRQoL should be associated with greater pathology.
