Relaxation Estimation of RMSD in Molecular Dynamics Immunosimulations

Table 1

Molecular dynamics simulation runs.

	𝑡max (ns)	Δ𝑡config (ps)	Peptide	𝑛
Trajectory1	10	3	FLRGRAYGL	3500
Trajectory2	50	50	FLRGRAYGL	1000
Trajectory3	200	50	FLRGRAYGL	4322
Trajectory4	10	3	FLRGRAAGL	3500
Trajectory5	50	50	FLRGRAAGL	1000
Trajectory6	200	50	FLRGRAAGL	4322