FYI I found a typo in dry_martini_v2.1_lipids.itp ERROR 1 [file dry_martini_v2.1_lipids.itp, line 690]: Duplicate atom index (11) in angles If this is correct, then modify the line 690 11 11 12 2 ma_ccc to 10 11 12 2 ma_ccc Myunggi Yi