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[Preprint]. 2023 Feb 17:2023.02.02.525347. Originally published 2023 Feb 3. [Version 2] doi: 10.1101/2023.02.02.525347

Table 1:

Simulation lengths of all-atom lipid bilayers used in this work. The calculations based on enhanced-sampling simulations entailed multiple replicas with increasing degrees of applied curvature, carried out in parallel.

Composition Conventional MD sampling time (single replica), μs Multi-Map enhanced MD sampling time (replica count × time), μs

POPC 5.3 5.9 3.3 13 × 0.3 12 × 0.6 12 × 1.5
POPC/CHOL 8.9 9.1 3.4 13 × 0.7 14 × 0.7 13 × 1.5
DOPC 2.0 6.5 3.3 15 × 0.1 14 × 0.7 13 × 1.5
DOPC/CHOL 6.2 7.5 3.4 12 × 0.7 15 × 0.6 13 × 1.5

Number of lipids per unit cell 1800 800 200 1800 800 200