MD-A00C7J

Small siRNA-loaded LNP, constant pH MD at pH 5 (with solvent)

Warnings

Cross-PBC contacts detected in 70/74 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 6 has the most atoms in contact (82). Closest pairs in this frame: M450(MC3T).HN12 (index 23314) — S6308(BUF).BUF (index 38134) (2.43 Å) M272(MC3T).H23S (index 965) — S5968(BUF).BUF (index 37794) (2.67 Å) M300(MC3T).HN23 (index 4419) — S6159(BUF).BUF (index 37985) (2.75 Å) M293(MC3T).HN11 (index 3531) — S6144(BUF).BUF (index 37970) (3.14 Å) M300(MC3T).HN21 (index 4417) — S6159(BUF).BUF (index 37985) (3.31 Å) etc. (60 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 70/74 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 6 has the most atoms in contact (82). Closest pairs in this frame: M450(MC3T).HN12 (index 23314) — S6308(BUF).BUF (index 38134) (2.43 Å) M272(MC3T).H23S (index 965) — S5968(BUF).BUF (index 37794) (2.67 Å) M300(MC3T).HN23 (index 4419) — S6159(BUF).BUF (index 37985) (2.75 Å) M293(MC3T).HN11 (index 3531) — S6144(BUF).BUF (index 37970) (3.14 Å) M300(MC3T).HN21 (index 4417) — S6159(BUF).BUF (index 37985) (3.31 Å) etc. (60 pairs)

Force field

Water modelTIP3P

Box type

0residues