MD-A00C7L

Small siRNA-loaded LNP, constant pH MD at pH 7 (with solvent)

Warnings

Cross-PBC contacts detected in 72/79 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 5 has the most atoms in contact (149). Closest pairs in this frame: S5728(BUF).BUF (index 37554) — C6596(DSPC).H2R (index 63954) (2.81 Å) S5728(BUF).BUF (index 37554) — C6596(DSPC).O13 (index 63941) (2.92 Å) M325(MC3T).HN11 (index 7563) — S5805(BUF).BUF (index 37631) (3.12 Å) S5762(BUF).BUF (index 37588) — S6105(BUF).BUF (index 37931) (3.14 Å) S6303(BUF).BUF (index 38129) — C6594(DSPC).H13A (index 63639) (3.17 Å) etc. (118 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 72/79 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 5 has the most atoms in contact (149). Closest pairs in this frame: S5728(BUF).BUF (index 37554) — C6596(DSPC).H2R (index 63954) (2.81 Å) S5728(BUF).BUF (index 37554) — C6596(DSPC).O13 (index 63941) (2.92 Å) M325(MC3T).HN11 (index 7563) — S5805(BUF).BUF (index 37631) (3.12 Å) S5762(BUF).BUF (index 37588) — S6105(BUF).BUF (index 37931) (3.14 Å) S6303(BUF).BUF (index 38129) — C6594(DSPC).H13A (index 63639) (3.17 Å) etc. (118 pairs)

Force field

Water modelTIP3P

Box type

0residues