MD-A00C7N

Small siRNA-loaded LNP, constant pH MD at pH 9 (with solvent)

Warnings

Cross-PBC contacts detected in 68/79 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 5 has the most atoms in contact (76). Closest pairs in this frame: M327(MC3T).HN22 (index 7820) — S6095(BUF).BUF (index 37921) (3.10 Å) S5769(BUF).BUF (index 37595) — C6587(DSPC).H14A (index 62649) (3.31 Å) S5739(BUF).BUF (index 37565) — C6607(DSPC).H12A (index 65497) (3.54 Å) S5769(BUF).BUF (index 37595) — C6587(DSPC).H14C (index 62651) (3.63 Å) M327(MC3T).CN2 (index 7818) — S6095(BUF).BUF (index 37921) (3.80 Å) etc. (55 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 68/79 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 5 has the most atoms in contact (76). Closest pairs in this frame: M327(MC3T).HN22 (index 7820) — S6095(BUF).BUF (index 37921) (3.10 Å) S5769(BUF).BUF (index 37595) — C6587(DSPC).H14A (index 62649) (3.31 Å) S5739(BUF).BUF (index 37565) — C6607(DSPC).H12A (index 65497) (3.54 Å) S5769(BUF).BUF (index 37595) — C6587(DSPC).H14C (index 62651) (3.63 Å) M327(MC3T).CN2 (index 7818) — S6095(BUF).BUF (index 37921) (3.80 Å) etc. (55 pairs)

Force field

Water modelTIP3P

Box type

0residues