; Include forcefield parameters ; The actual location of these files might be different on your computer! #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.1-dna.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_ions.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_DPPC_01.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_POPC_02.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_DOPC_02.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_DIPC_01.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_PAPC_01.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_CHOL_02.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_POPE_02.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_DOPE_02.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_DIPE_01.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_PAPE_01.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_DAPE_01.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_DPSM_01.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_DBSM_01.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_POPS_02.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_PAPS_01.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/martini_v2.0_PAP6_02.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/DOPX_Martini_v2.0_lipid.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/POPX_Martini_v2.0_lipid.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/KRAS-GTP-04-HVR-best-guess-M22-CYFpos.itp" #include "/g/g13/splash/pilot2-splash-app/resources/Martini/KRAS-GTP-04-HVR-best-guess-M22-PULL-CYFpos.itp" [ system ] ; name lipids-sim [ molecules ] ; name number ; X: 31.000 (40 lipids) Y: 31.000 (40 lipids) ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 63 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; 64 lipids in upper leaflet, 64 lipids in lower leaflet ; Charge of protein: 2.000000 ; Charge of membrane: -364.000000 ; Total charge: -362.000000 POPX 19 PAPC 7 POPE 1 DIPE 5 DPSM 14 CHOL 18 POPC 11 PAPC 8 POPE 2 DIPE 12 DPSM 3 PAPS 12 PAP6 0 CHOL 14 POPX 16 PAPC 7 POPE 1 DIPE 4 DPSM 17 CHOL 19 POPC 11 PAPC 8 POPE 3 DIPE 9 DPSM 5 PAPS 12 CHOL 14 POPX 15 PAPC 7 POPE 1 DIPE 4 DPSM 16 CHOL 21 POPC 13 PAPC 7 POPE 3 DIPE 8 DPSM 5 PAPS 13 CHOL 13 POPX 13 PAPC 5 POPE 1 DIPE 4 DPSM 22 CHOL 19 POPC 9 PAPC 8 POPE 3 DIPE 10 DPSM 2 PAPS 17 PAP6 1 CHOL 12 POPX 14 PAPC 6 POPE 1 DIPE 4 DPSM 21 CHOL 18 POPC 8 PAPC 11 POPE 3 DIPE 11 DPSM 1 PAPS 14 PAP6 3 CHOL 12 POPX 16 PAPC 9 POPE 1 DIPE 5 DPSM 16 CHOL 17 POPC 12 PAPC 6 POPE 2 DIPE 10 DPSM 5 PAPS 11 PAP6 0 CHOL 16 POPX 14 PAPC 8 POPE 1 DIPE 4 DPSM 18 CHOL 19 POPC 9 PAPC 9 POPE 3 DIPE 8 DPSM 6 PAPS 11 PAP6 0 CHOL 16 POPX 14 PAPC 8 POPE 1 DIPE 4 DPSM 17 CHOL 20 POPC 10 PAPC 9 POPE 2 DIPE 9 DPSM 8 PAPS 11 CHOL 13 POPX 14 PAPC 9 POPE 1 DIPE 5 DPSM 16 CHOL 19 POPC 10 PAPC 9 POPE 4 DIPE 10 DPSM 5 PAPS 11 CHOL 13 POPX 13 PAPC 7 POPE 1 DIPE 5 DPSM 19 CHOL 19 POPC 9 PAPC 10 POPE 2 DIPE 10 DPSM 2 PAPS 15 PAP6 0 CHOL 14 POPX 17 PAPC 7 POPE 1 DIPE 3 DPSM 17 CHOL 19 POPC 8 PAPC 6 POPE 3 DIPE 11 DPSM 5 PAPS 13 PAP6 0 CHOL 16 POPX 14 PAPC 9 POPE 2 DIPE 4 DPSM 17 CHOL 18 POPC 7 PAPC 9 POPE 3 DIPE 12 DPSM 4 PAPS 12 PAP6 0 CHOL 15 POPX 12 PAPC 10 POPE 1 DIPE 4 DPSM 18 CHOL 19 POPC 4 PAPC 9 POPE 2 DIPE 13 DPSM 4 PAPS 12 PAP6 3 CHOL 14 POPX 13 PAPC 10 POPE 1 DIPE 4 DPSM 17 CHOL 19 POPC 11 PAPC 10 POPE 2 DIPE 9 DPSM 5 PAPS 13 PAP6 0 CHOL 12 POPX 14 PAPC 9 POPE 1 DIPE 6 DPSM 16 CHOL 18 POPC 9 PAPC 11 POPE 3 DIPE 11 DPSM 3 PAPS 13 PAP6 1 CHOL 12 POPX 17 PAPC 7 POPE 1 DIPE 2 DPSM 19 CHOL 18 POPC 8 PAPC 5 POPE 3 DIPE 11 DPSM 5 PAPS 14 PAP6 0 CHOL 16 POPX 14 PAPC 10 POPE 1 DIPE 3 DPSM 19 CHOL 17 POPC 10 PAPC 6 POPE 2 DIPE 10 DPSM 5 PAPS 13 PAP6 0 CHOL 16 POPX 14 PAPC 9 POPE 1 DIPE 3 DPSM 20 CHOL 17 POPC 8 PAPC 8 POPE 3 DIPE 11 DPSM 5 PAPS 14 PAP6 1 CHOL 13 POPX 13 PAPC 9 POPE 1 DIPE 4 DPSM 19 CHOL 18 POPC 13 PAPC 8 POPE 2 DIPE 9 DPSM 5 PAPS 12 PAP6 1 CHOL 13 POPX 14 PAPC 12 POPE 1 DIPE 4 DPSM 16 CHOL 17 POPC 12 PAPC 8 POPE 3 DIPE 9 DPSM 5 PAPS 12 PAP6 0 CHOL 13 POPX 14 PAPC 8 POPE 1 DIPE 2 DPSM 19 CHOL 20 POPC 11 PAPC 4 POPE 3 DIPE 10 DPSM 5 PAPS 14 CHOL 16 POPX 14 PAPC 10 POPE 1 DIPE 3 DPSM 18 CHOL 18 POPC 12 PAPC 4 POPE 3 DIPE 9 DPSM 6 PAPS 12 PAP6 0 CHOL 16 POPX 14 PAPC 11 POPE 1 DIPE 3 DPSM 17 CHOL 18 POPC 10 PAPC 7 POPE 3 DIPE 8 DPSM 6 PAPS 11 PAP6 0 CHOL 17 POPX 13 PAPC 9 POPE 1 DIPE 4 DPSM 18 CHOL 19 POPC 13 PAPC 6 POPE 3 DIPE 9 DPSM 5 PAPS 12 PAP6 0 CHOL 14 POPX 14 PAPC 9 POPE 1 DIPE 6 DPSM 17 CHOL 17 POPC 14 PAPC 6 POPE 3 DIPE 7 DPSM 7 PAPS 10 CHOL 15 KRAS_GTP 1 W 98202 NA 1449 CL 1085