MD-A00C7M

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

Warnings

Cross-PBC contacts detected in 71/73 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 4 has the most atoms in contact (74). Closest pairs in this frame: M400(MC3T).H12R (index 17038) — S6226(BUF).BUF (index 38052) (2.46 Å) S6226(BUF).BUF (index 38052) — C6343(CHOL).H4B (index 42689) (2.61 Å) M386(MC3T).HN12 (index 15250) — S5851(BUF).BUF (index 37677) (2.82 Å) S6226(BUF).BUF (index 38052) — C6343(CHOL).H3' (index 42686) (3.22 Å) S6049(BUF).BUF (index 37875) — S6264(BUF).BUF (index 38090) (3.32 Å) etc. (54 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 71/73 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 4 has the most atoms in contact (74). Closest pairs in this frame: M400(MC3T).H12R (index 17038) — S6226(BUF).BUF (index 38052) (2.46 Å) S6226(BUF).BUF (index 38052) — C6343(CHOL).H4B (index 42689) (2.61 Å) M386(MC3T).HN12 (index 15250) — S5851(BUF).BUF (index 37677) (2.82 Å) S6226(BUF).BUF (index 38052) — C6343(CHOL).H3' (index 42686) (3.22 Å) S6049(BUF).BUF (index 37875) — S6264(BUF).BUF (index 38090) (3.32 Å) etc. (54 pairs)

Force field

Water modelTIP3P

Box type

0residues