MD-A00C7M

Small siRNA-loaded LNP, constant pH MD at pH 8 (with solvent)

Warnings

Cross-PBC contacts detected in 67/75 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 3 has the most atoms in contact (79). Closest pairs in this frame: S5940(BUF).BUF (index 37766) — C6321(DPG2).HY (index 39302) (2.84 Å) S6205(BUF).BUF (index 38031) — S6219(BUF).BUF (index 38045) (2.92 Å) S5807(BUF).BUF (index 37633) — S5830(BUF).BUF (index 37656) (3.19 Å) M484(MC3T).HN12 (index 27598) — S6185(BUF).BUF (index 38011) (3.26 Å) M484(MC3T).HN11 (index 27597) — S6185(BUF).BUF (index 38011) (3.38 Å) etc. (53 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 67/75 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 3 has the most atoms in contact (79). Closest pairs in this frame: S5940(BUF).BUF (index 37766) — C6321(DPG2).HY (index 39302) (2.84 Å) S6205(BUF).BUF (index 38031) — S6219(BUF).BUF (index 38045) (2.92 Å) S5807(BUF).BUF (index 37633) — S5830(BUF).BUF (index 37656) (3.19 Å) M484(MC3T).HN12 (index 27598) — S6185(BUF).BUF (index 38011) (3.26 Å) M484(MC3T).HN11 (index 27597) — S6185(BUF).BUF (index 38011) (3.38 Å) etc. (53 pairs)

Force field

Water modelTIP3P

Box type