MD-A00C7E

Constant pH MD of small HER2-siRNA LNP at pH 10 (with solvent)

Warnings

Cross-PBC contacts detected in 70/79 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 8 has the most atoms in contact (88). Closest pairs in this frame: S6257(BUF).BUF (index 38083) — C6357(CHOL).H3' (index 43722) (3.08 Å) S6257(BUF).BUF (index 38083) — C6357(CHOL).O3 (index 43721) (3.09 Å) S6150(BUF).BUF (index 37976) — C6613(DSPC).H14A (index 66341) (3.17 Å) M420(MC3T).H21 (index 19544) — S5779(BUF).BUF (index 37605) (3.23 Å) M276(MC3T).HN13 (index 1391) — S5737(BUF).BUF (index 37563) (3.58 Å) etc. (72 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 70/79 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 8 has the most atoms in contact (88). Closest pairs in this frame: S6257(BUF).BUF (index 38083) — C6357(CHOL).H3' (index 43722) (3.08 Å) S6257(BUF).BUF (index 38083) — C6357(CHOL).O3 (index 43721) (3.09 Å) S6150(BUF).BUF (index 37976) — C6613(DSPC).H14A (index 66341) (3.17 Å) M420(MC3T).H21 (index 19544) — S5779(BUF).BUF (index 37605) (3.23 Å) M276(MC3T).HN13 (index 1391) — S5737(BUF).BUF (index 37563) (3.58 Å) etc. (72 pairs)

Force field

Water modelTIP3P

Box type

0residues