MD-A00C7O

Small siRNA-loaded LNP, constant pH MD at pH 14 (with solvent)

Warnings

Cross-PBC contacts detected in 63/72 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 5 has the most atoms in contact (61). Closest pairs in this frame: S6069(BUF).BUF (index 37895) — S6302(BUF).BUF (index 38128) (3.77 Å) S5795(BUF).BUF (index 37621) — C6600(DSPC).H15A (index 64499) (3.83 Å) S5795(BUF).BUF (index 37621) — C6600(DSPC).H12B (index 64504) (3.89 Å) S6195(BUF).BUF (index 38021) — C6615(DSPC).H13A (index 66621) (3.92 Å) S5817(BUF).BUF (index 37643) — C6589(DSPC).H2Y (index 62970) (4.07 Å) etc. (40 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 63/72 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 5 has the most atoms in contact (61). Closest pairs in this frame: S6069(BUF).BUF (index 37895) — S6302(BUF).BUF (index 38128) (3.77 Å) S5795(BUF).BUF (index 37621) — C6600(DSPC).H15A (index 64499) (3.83 Å) S5795(BUF).BUF (index 37621) — C6600(DSPC).H12B (index 64504) (3.89 Å) S6195(BUF).BUF (index 38021) — C6615(DSPC).H13A (index 66621) (3.92 Å) S5817(BUF).BUF (index 37643) — C6589(DSPC).H2Y (index 62970) (4.07 Å) etc. (40 pairs)

Force field

Water modelTIP3P

Box type