MD-A00C7F

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

Warnings

Cross-PBC contacts detected in 72/76 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 13 has the most atoms in contact (64). Closest pairs in this frame: S5914(BUF).BUF (index 37740) — C6614(DSPC).H13A (index 66479) (2.65 Å) S6034(BUF).BUF (index 37860) — C6319(DPG2).H3S (index 38809) (2.90 Å) M401(MC3T).H87S (index 17206) — S5742(BUF).BUF (index 37568) (2.90 Å) S6179(BUF).BUF (index 38005) — C6481(CHOL).H3' (index 52898) (3.05 Å) S5914(BUF).BUF (index 37740) — C6614(DSPC).H13C (index 66481) (3.27 Å) etc. (51 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 72/76 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 13 has the most atoms in contact (64). Closest pairs in this frame: S5914(BUF).BUF (index 37740) — C6614(DSPC).H13A (index 66479) (2.65 Å) S6034(BUF).BUF (index 37860) — C6319(DPG2).H3S (index 38809) (2.90 Å) M401(MC3T).H87S (index 17206) — S5742(BUF).BUF (index 37568) (2.90 Å) S6179(BUF).BUF (index 38005) — C6481(CHOL).H3' (index 52898) (3.05 Å) S5914(BUF).BUF (index 37740) — C6614(DSPC).H13C (index 66481) (3.27 Å) etc. (51 pairs)

Force field

Water modelTIP3P

Box type