MD-A00C7F

Constant pH MD of small HER2-siRNA LNP at pH 11 (with solvent)

Warnings

Cross-PBC contacts detected in 75/78 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 3 has the most atoms in contact (60). Closest pairs in this frame: S6063(BUF).BUF (index 37889) — C6609(DSPC).H15B (index 65778) (3.28 Å) M527(MC3T).HN13 (index 33017) — S6291(BUF).BUF (index 38117) (3.28 Å) M562(MC3T).HN4 (index 37423) — S6073(BUF).BUF (index 37899) (3.32 Å) S5933(BUF).BUF (index 37759) — C6479(CHOL).H3 (index 52748) (3.33 Å) M527(MC3T).HN11 (index 33015) — S6291(BUF).BUF (index 38117) (3.56 Å) etc. (45 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 75/78 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 3 has the most atoms in contact (60). Closest pairs in this frame: S6063(BUF).BUF (index 37889) — C6609(DSPC).H15B (index 65778) (3.28 Å) M527(MC3T).HN13 (index 33017) — S6291(BUF).BUF (index 38117) (3.28 Å) M562(MC3T).HN4 (index 37423) — S6073(BUF).BUF (index 37899) (3.32 Å) S5933(BUF).BUF (index 37759) — C6479(CHOL).H3 (index 52748) (3.33 Å) M527(MC3T).HN11 (index 33015) — S6291(BUF).BUF (index 38117) (3.56 Å) etc. (45 pairs)

Force field

Water modelTIP3P

Box type

0residues