; DMPC ; charges have been changed due to Chiu et al (1995) as reported by Chandrasekhar et al (Eur. Biophys. J. 2003) ; changed pairs 11 32 to 11 30 (7/04/08) ; changed atom types 15 and 32 to CH0 (6/6/08) [ moleculetype ] ; Name nrexcl DMPC 3 [ atoms ] ; nr type resnr residue atom cgnr charge mass typeB chargeB massB 1 CH3 1 DMPC C33 1 0.4 15.035 ; qtot 0.4 2 CH3 1 DMPC C34 1 0.4 15.035 ; qtot 0.8 3 CH3 1 DMPC C35 1 0.4 15.035 ; qtot 1.2 4 NL 1 DMPC N 1 -0.5 14.0067 ; qtot 0.7 5 CH2 1 DMPC C32 1 0.3 14.027 ; qtot 1.0 6 CH2 1 DMPC C31 2 0.4 14.027 ; qtot 1.4 7 OA 1 DMPC O32 2 -0.8 15.9994 ; qtot 0.60 8 P 1 DMPC P 2 1.7 30.9738 ; qtot 2.3 9 OM 1 DMPC O33 2 -0.8 15.9994 ; qtot 1.5 10 OM 1 DMPC O34 2 -0.8 15.9994 ; qtot 0.7 11 OA 1 DMPC O31 2 -0.7 15.9994 ; qtot 0 12 CH2 1 DMPC C3 3 0.4 14.027 ; qtot 0.4 13 CH1 1 DMPC C2 3 0.3 13.019 ; qtot 0.7 14 OE 1 DMPC O21 3 -0.7 15.9994 ; qtot 0 15 CH0 1 DMPC C21 3 0.7 12.011 ; qtot 0.7 16 O 1 DMPC O22 3 -0.7 15.9994 ; qtot 0 17 CH2 1 DMPC C22 4 0 14.027 ; qtot 0 18 CH2 1 DMPC C23 4 0 14.027 ; qtot 0 19 CH2 1 DMPC C24 5 0 14.027 ; qtot 0 20 CH2 1 DMPC C25 5 0 14.027 ; qtot 0 21 CH2 1 DMPC C26 6 0 14.027 ; qtot 0 22 CH2 1 DMPC C27 6 0 14.027 ; qtot 0 23 CH2 1 DMPC C28 7 0 14.027 ; qtot 0 24 CH2 1 DMPC C29 7 0 14.027 ; qtot 0 25 CH2 1 DMPC C210 8 0 14.027 ; qtot 0 26 CH2 1 DMPC C211 8 0 14.027 ; qtot 0 27 CH2 1 DMPC C212 9 0 14.027 ; qtot 0 28 CH2 1 DMPC C213 9 0 14.027 ; qtot 0 29 CH3 1 DMPC C214 12 0 15.035 ; qtot 0 30 CH2 1 DMPC C1 13 0.5 14.027 ; qtot 0.5 31 OE 1 DMPC O11 13 -0.7 15.9994 ; qtot -0.2 32 CH0 1 DMPC C11 13 0.8 12.011 ; qtot 0.6 33 O 1 DMPC O12 13 -0.6 15.9994 ; qtot 0 34 CH2 1 DMPC C12 14 0 14.027 ; qtot 0 35 CH2 1 DMPC C13 14 0 14.027 ; qtot 0 36 CH2 1 DMPC C14 15 0 14.027 ; qtot 0 37 CH2 1 DMPC C15 15 0 14.027 ; qtot 0 38 CH2 1 DMPC C16 16 0 14.027 ; qtot 0 39 CH2 1 DMPC C17 16 0 14.027 ; qtot 0 40 CH2 1 DMPC C18 17 0 14.027 ; qtot 0 41 CH2 1 DMPC C19 17 0 14.027 ; qtot 0 42 CH2 1 DMPC C110 18 0 14.027 ; qtot 0 43 CH2 1 DMPC C111 18 0 14.027 ; qtot 0 44 CH2 1 DMPC C112 19 0 14.027 ; qtot 0 45 CH2 1 DMPC C113 19 0 14.027 ; qtot 0 46 CH3 1 DMPC C114 21 0 15.035 ; qtot 0 [ bonds ] ; ai aj funct c0 c1 c2 c3 1 4 2 gb_21 2 4 2 gb_21 3 4 2 gb_21 4 5 2 gb_21 5 6 2 gb_27 6 7 2 gb_18 7 8 2 gb_28 8 9 2 gb_24 8 10 2 gb_24 8 11 2 gb_28 11 12 2 gb_18 12 13 2 gb_27 13 14 2 gb_18 13 30 2 gb_27 14 15 2 gb_10 15 16 2 gb_5 15 17 2 gb_23 17 18 2 gb_27 18 19 2 gb_27 19 20 2 gb_27 20 21 2 gb_27 21 22 2 gb_27 22 23 2 gb_27 23 24 2 gb_27 24 25 2 gb_27 25 26 2 gb_27 26 27 2 gb_27 27 28 2 gb_27 28 29 2 gb_27 30 31 2 gb_18 31 32 2 gb_10 32 33 2 gb_5 32 34 2 gb_23 34 35 2 gb_27 35 36 2 gb_27 36 37 2 gb_27 37 38 2 gb_27 38 39 2 gb_27 39 40 2 gb_27 40 41 2 gb_27 41 42 2 gb_27 42 43 2 gb_27 43 44 2 gb_27 44 45 2 gb_27 45 46 2 gb_27 [ pairs ] ; ai aj funct c0 c1 c2 c3 1 6 1 2 6 1 3 6 1 4 7 1 5 8 1 6 9 1 6 10 1 6 11 1 7 12 1 8 13 1 9 12 1 10 12 1 11 14 1 11 30 1 12 15 1 12 31 1 13 16 1 13 17 1 13 32 1 14 18 1 14 31 1 15 19 1 15 30 1 16 18 1 17 20 1 18 21 1 19 22 1 20 23 1 21 24 1 22 25 1 23 26 1 24 27 1 25 28 1 26 29 1 30 33 1 30 34 1 31 35 1 32 36 1 33 35 1 34 37 1 35 38 1 36 39 1 37 40 1 38 41 1 39 42 1 40 43 1 41 44 1 42 45 1 43 46 1 [ angles ] ; ai aj ak funct c0 c1 c2 c3 1 4 2 2 ga_13 1 4 3 2 ga_13 1 4 5 2 ga_13 2 4 3 2 ga_13 2 4 5 2 ga_13 3 4 5 2 ga_13 4 5 6 2 ga_15 5 6 7 2 ga_15 6 7 8 2 ga_26 7 8 9 2 ga_14 7 8 10 2 ga_14 7 8 11 2 ga_5 9 8 10 2 ga_29 9 8 11 2 ga_14 10 8 11 2 ga_14 8 11 12 2 ga_26 11 12 13 2 ga_15 12 13 14 2 ga_13 12 13 30 2 ga_13 14 13 30 2 ga_13 13 14 15 2 ga_22 14 15 16 2 ga_31 14 15 17 2 ga_16 16 15 17 2 ga_35 15 17 18 2 ga_15 17 18 19 2 ga_15 18 19 20 2 ga_15 19 20 21 2 ga_15 20 21 22 2 ga_15 21 22 23 2 ga_15 22 23 24 2 ga_15 23 24 25 2 ga_15 24 25 26 2 ga_15 25 26 27 2 ga_15 26 27 28 2 ga_15 27 28 29 2 ga_15 13 30 31 2 ga_15 30 31 32 2 ga_22 31 32 33 2 ga_31 31 32 34 2 ga_16 33 32 34 2 ga_35 32 34 35 2 ga_15 34 35 36 2 ga_15 35 36 37 2 ga_15 36 37 38 2 ga_15 37 38 39 2 ga_15 38 39 40 2 ga_15 39 40 41 2 ga_15 40 41 42 2 ga_15 41 42 43 2 ga_15 42 43 44 2 ga_15 43 44 45 2 ga_15 44 45 46 2 ga_15 [ dihedrals ] ; ai aj ak al funct c0 c1 c2 c3 c4 c5 1 4 5 6 1 gd_29 4 5 6 7 1 gd_4 4 5 6 7 1 gd_36 5 6 7 8 1 gd_29 6 7 8 11 1 gd_20 6 7 8 11 1 gd_27 7 8 11 12 1 gd_20 7 8 11 12 1 gd_27 8 11 12 13 1 gd_29 11 12 13 30 1 gd_34 12 13 14 15 1 gd_29 12 13 30 31 1 gd_34 13 14 15 17 1 gd_13 14 15 17 18 1 gd_40 15 17 18 19 1 gd_34 17 18 19 20 1 gd_34 18 19 20 21 1 gd_34 19 20 21 22 1 gd_34 20 21 22 23 1 gd_34 21 22 23 24 1 gd_34 22 23 24 25 1 gd_34 23 24 25 26 1 gd_34 24 25 26 27 1 gd_34 25 26 27 28 1 gd_34 26 27 28 29 1 gd_34 13 30 31 32 1 gd_29 30 31 32 34 1 gd_13 31 32 34 35 1 gd_40 32 34 35 36 1 gd_34 34 35 36 37 1 gd_34 35 36 37 38 1 gd_34 36 37 38 39 1 gd_34 37 38 39 40 1 gd_34 38 39 40 41 1 gd_34 39 40 41 42 1 gd_34 40 41 42 43 1 gd_34 41 42 43 44 1 gd_34 42 43 44 45 1 gd_34 43 44 45 46 1 gd_34 [ dihedrals ] ; ai aj ak al funct c0 c1 c2 c3 13 14 30 12 2 gi_2 15 14 17 16 2 gi_1 32 31 34 33 2 gi_1