MD-A00C7H

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

Warnings

Cross-PBC contacts detected in 73/79 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 19 has the most atoms in contact (51). Closest pairs in this frame: S6309(BUF).BUF (index 38135) — C6603(DSPC).H16S (index 65000) (3.12 Å) S6309(BUF).BUF (index 38135) — C6480(CHOL).H2B (index 52869) (3.16 Å) M495(MC3T).H82R (index 29036) — S5802(BUF).BUF (index 37628) (3.20 Å) M495(MC3T).H80R (index 29031) — S5802(BUF).BUF (index 37628) (3.43 Å) S5976(BUF).BUF (index 37802) — S6144(BUF).BUF (index 37970) (3.46 Å) etc. (40 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 73/79 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 19 has the most atoms in contact (51). Closest pairs in this frame: S6309(BUF).BUF (index 38135) — C6603(DSPC).H16S (index 65000) (3.12 Å) S6309(BUF).BUF (index 38135) — C6480(CHOL).H2B (index 52869) (3.16 Å) M495(MC3T).H82R (index 29036) — S5802(BUF).BUF (index 37628) (3.20 Å) M495(MC3T).H80R (index 29031) — S5802(BUF).BUF (index 37628) (3.43 Å) S5976(BUF).BUF (index 37802) — S6144(BUF).BUF (index 37970) (3.46 Å) etc. (40 pairs)

Force field

Water modelTIP3P

Box type

0residues