; ; GROMOS-CKP L-POPG. Thomas Piggot 2011 ; ; If you use this topology please read and cite: ; ; Electroporation of the E. coli and S. aureus Membranes: Molecular Dynamics Simulations of Complex Bacterial Membranes ; http://pubs.acs.org/doi/abs/10.1021/jp207013v ; [ moleculetype ] ; Name nrexcl LPOG 3 [ atoms ] ; nr type resnr residue atom cgnr charge mass typeB chargeB massB 1 H 1 LPOG H0 1 0.417 1.008 ; 2 OA 1 LPOG O1 1 -0.574 15.9994 ; 3 CH2 1 LPOG C2 1 0.157 14.027 ; 4 CH1 1 LPOG C3 2 0.157 13.019 ; 5 OA 1 LPOG O4 2 -0.574 15.9994 ; 6 H 1 LPOG H5 2 0.417 1.008 ; 7 CH2 1 LPOG C6 3 0.4 14.027 ; 8 OA 1 LPOG O7 3 -0.8 15.9994 ; 9 P 1 LPOG P8 3 1.7 30.9738 ; 10 OM 1 LPOG O9 3 -0.8 15.9994 ; 11 OM 1 LPOG O10 3 -0.8 15.9994 ; 12 OA 1 LPOG O11 3 -0.7 15.9994 ; 13 CH2 1 LPOG C12 4 0.4 14.027 ; 14 CH1 1 LPOG C13 4 0.3 13.019 ; 15 OE 1 LPOG O14 4 -0.7 15.9994 ; 16 CH0 1 LPOG C15 4 0.7 12.011 ; 17 O 1 LPOG O16 4 -0.7 15.9994 ; 18 CH2 1 LPOG C17 5 0 14.027 ; 19 CH2 1 LPOG C18 5 0 14.027 ; 20 CH2 1 LPOG C19 6 0 14.027 ; 21 CH2 1 LPOG C20 6 0 14.027 ; 22 CH2 1 LPOG C21 7 0 14.027 ; 23 CH2 1 LPOG C22 7 0 14.027 ; 24 CH2 1 LPOG C23 8 0 14.027 ; 25 CR1 1 LPOG C24 8 0 13.019 ; 26 CR1 1 LPOG C25 9 0 13.019 ; 27 CH2 1 LPOG C26 9 0 14.027 ; 28 CH2 1 LPOG C27 10 0 14.027 ; 29 CH2 1 LPOG C28 10 0 14.027 ; 30 CH2 1 LPOG C29 11 0 14.027 ; 31 CH2 1 LPOG C30 11 0 14.027 ; 32 CH2 1 LPOG C31 12 0 14.027 ; 33 CH2 1 LPOG CA1 12 0 14.027 ; 34 CH3 1 LPOG CA2 13 0 15.035 ; 35 CH2 1 LPOG C32 14 0.5 14.027 ; 36 OE 1 LPOG O33 14 -0.7 15.9994 ; 37 CH0 1 LPOG C34 14 0.8 12.011 ; 38 O 1 LPOG O35 14 -0.6 15.9994 ; 39 CH2 1 LPOG C36 15 0 14.027 ; 40 CH2 1 LPOG C37 15 0 14.027 ; 41 CH2 1 LPOG C38 16 0 14.027 ; 42 CH2 1 LPOG C39 16 0 14.027 ; 43 CH2 1 LPOG C40 17 0 14.027 ; 44 CH2 1 LPOG C41 17 0 14.027 ; 45 CH2 1 LPOG C42 18 0 14.027 ; 46 CH2 1 LPOG C43 18 0 14.027 ; 47 CH2 1 LPOG C44 19 0 14.027 ; 48 CH2 1 LPOG C45 19 0 14.027 ; 49 CH2 1 LPOG C46 20 0 14.027 ; 50 CH2 1 LPOG C47 20 0 14.027 ; 51 CH2 1 LPOG C48 21 0 14.027 ; 52 CH2 1 LPOG C49 21 0 14.027 ; 53 CH3 1 LPOG C50 22 0 15.035 ; [ bonds ] ; ai aj funct c0 c1 c2 c3 1 2 2 gb_1 2 3 2 gb_18 3 4 2 gb_27 4 5 2 gb_18 4 7 2 gb_27 5 6 2 gb_1 7 8 2 gb_18 8 9 2 gb_28 9 10 2 gb_24 9 11 2 gb_24 9 12 2 gb_28 12 13 2 gb_18 13 14 2 gb_27 14 15 2 gb_18 14 35 2 gb_27 15 16 2 gb_10 16 17 2 gb_5 16 18 2 gb_23 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_10 26 27 2 gb_27 27 28 2 gb_27 28 29 2 gb_27 29 30 2 gb_27 30 31 2 gb_27 31 32 2 gb_27 32 33 2 gb_27 33 34 2 gb_27 35 36 2 gb_18 36 37 2 gb_10 37 38 2 gb_5 37 39 2 gb_23 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 46 47 2 gb_27 47 48 2 gb_27 48 49 2 gb_27 49 50 2 gb_27 50 51 2 gb_27 51 52 2 gb_27 52 53 2 gb_27 [ pairs ] ; ai aj funct c0 c1 c2 c3 1 4 1 2 5 1 2 7 1 3 6 1 3 8 1 4 9 1 5 8 1 6 7 1 7 10 1 7 11 1 7 12 1 8 13 1 9 14 1 10 13 1 11 13 1 12 15 1 12 35 1 13 16 1 13 36 1 14 17 1 14 18 1 14 37 1 15 19 1 15 36 1 16 20 1 16 35 1 17 19 1 18 21 1 19 22 1 20 23 1 21 24 1 22 25 1 23 26 1 25 28 1 26 29 1 27 30 1 28 31 1 29 32 1 30 33 1 31 34 1 35 38 1 35 39 1 36 40 1 37 41 1 38 40 1 39 42 1 40 43 1 41 44 1 42 45 1 43 46 1 44 47 1 45 48 1 46 49 1 47 50 1 48 51 1 49 52 1 50 53 1 [ angles ] ; ai aj ak funct c0 c1 c2 c3 1 2 3 2 ga_12 2 3 4 2 ga_13 3 4 5 2 ga_13 3 4 7 2 ga_13 5 4 7 2 ga_13 4 5 6 2 ga_12 4 7 8 2 ga_13 7 8 9 2 ga_26 8 9 10 2 ga_14 8 9 11 2 ga_14 8 9 12 2 ga_5 10 9 11 2 ga_29 10 9 12 2 ga_14 11 9 12 2 ga_14 9 12 13 2 ga_26 12 13 14 2 ga_15 13 14 15 2 ga_13 13 14 35 2 ga_13 15 14 35 2 ga_13 14 15 16 2 ga_22 15 16 17 2 ga_31 15 16 18 2 ga_16 17 16 18 2 ga_35 16 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_27 25 26 27 2 ga_27 26 27 28 2 ga_15 27 28 29 2 ga_15 28 29 30 2 ga_15 29 30 31 2 ga_15 30 31 32 2 ga_15 31 32 33 2 ga_15 32 33 34 2 ga_15 14 35 36 2 ga_15 35 36 37 2 ga_22 36 37 38 2 ga_31 36 37 39 2 ga_16 38 37 39 2 ga_35 37 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 45 46 47 2 ga_15 46 47 48 2 ga_15 47 48 49 2 ga_15 48 49 50 2 ga_15 49 50 51 2 ga_15 50 51 52 2 ga_15 51 52 53 2 ga_15 [ dihedrals ] ; ai aj ak al funct c0 c1 c2 c3 c4 c5 1 2 3 4 1 gd_23 2 3 4 7 1 gd_34 3 4 5 6 1 gd_23 3 4 7 8 1 gd_34 4 7 8 9 1 gd_29 7 8 9 12 1 gd_20 7 8 9 12 1 gd_27 8 9 12 13 1 gd_20 8 9 12 13 1 gd_27 9 12 13 14 1 gd_29 12 13 14 35 1 gd_34 13 14 15 16 1 gd_29 13 14 35 36 1 gd_34 14 15 16 18 1 gd_13 15 16 18 19 1 gd_40 16 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_40 25 26 27 28 1 gd_40 26 27 28 29 1 gd_34 27 28 29 30 1 gd_34 28 29 30 31 1 gd_34 29 30 31 32 1 gd_34 30 31 32 33 1 gd_34 31 32 33 34 1 gd_34 14 35 36 37 1 gd_29 35 36 37 39 1 gd_13 36 37 39 40 1 gd_40 37 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 44 45 46 47 1 gd_34 45 46 47 48 1 gd_34 46 47 48 49 1 gd_34 47 48 49 50 1 gd_34 48 49 50 51 1 gd_34 49 50 51 52 1 gd_34 50 51 52 53 1 gd_34 [ dihedrals ] ; ai aj ak al funct c0 c1 c2 c3 3 5 7 4 2 gi_2 ; L 13 35 15 14 2 gi_2 16 15 18 17 2 gi_1 24 25 26 27 2 gi_1 37 36 39 38 2 gi_1