MD-A00C7L

Small siRNA-loaded LNP, constant pH MD at pH 7 (with solvent)

Warnings

Cross-PBC contacts detected in 68/71 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 2 has the most atoms in contact (100). Closest pairs in this frame: S6047(BUF).BUF (index 37873) — C6325(DPG2).H33 (index 40456) (2.61 Å) M424(MC3T).H13R (index 20065) — S6019(BUF).BUF (index 37845) (2.77 Å) S6047(BUF).BUF (index 37873) — C6325(DPG2).H36 (index 40461) (2.85 Å) S5856(BUF).BUF (index 37682) — S5930(BUF).BUF (index 37756) (2.91 Å) M355(MC3T).H84S (index 11401) — S5955(BUF).BUF (index 37781) (3.04 Å) etc. (80 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 68/71 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 2 has the most atoms in contact (100). Closest pairs in this frame: S6047(BUF).BUF (index 37873) — C6325(DPG2).H33 (index 40456) (2.61 Å) M424(MC3T).H13R (index 20065) — S6019(BUF).BUF (index 37845) (2.77 Å) S6047(BUF).BUF (index 37873) — C6325(DPG2).H36 (index 40461) (2.85 Å) S5856(BUF).BUF (index 37682) — S5930(BUF).BUF (index 37756) (2.91 Å) M355(MC3T).H84S (index 11401) — S5955(BUF).BUF (index 37781) (3.04 Å) etc. (80 pairs)

Force field

Water modelTIP3P

Box type

0residues