MD-A00C7H

Small siRNA-loaded LNP, constant pH MD at pH 13 (with solvent)

Warnings

Cross-PBC contacts detected in 69/79 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 3 has the most atoms in contact (63). Closest pairs in this frame: M463(MC3T).HN13 (index 24953) — S5746(BUF).BUF (index 37572) (3.26 Å) M491(MC3T).H12 (index 28488) — S5948(BUF).BUF (index 37774) (3.34 Å) M491(MC3T).H31 (index 28493) — S5948(BUF).BUF (index 37774) (3.66 Å) M339(MC3T).HN22 (index 9332) — S5751(BUF).BUF (index 37577) (3.76 Å) S6197(BUF).BUF (index 38023) — S6277(BUF).BUF (index 38103) (3.76 Å) etc. (44 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 69/79 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 3 has the most atoms in contact (63). Closest pairs in this frame: M463(MC3T).HN13 (index 24953) — S5746(BUF).BUF (index 37572) (3.26 Å) M491(MC3T).H12 (index 28488) — S5948(BUF).BUF (index 37774) (3.34 Å) M491(MC3T).H31 (index 28493) — S5948(BUF).BUF (index 37774) (3.66 Å) M339(MC3T).HN22 (index 9332) — S5751(BUF).BUF (index 37577) (3.76 Å) S6197(BUF).BUF (index 38023) — S6277(BUF).BUF (index 38103) (3.76 Å) etc. (44 pairs)

Force field

Water modelTIP3P

Box type