;;;;;; DIPALMITOYL PG ; ; in general models PGs with saturated tail lengths C15-18 [ moleculetype ] ; molname nrexcl DPPG 1 [ atoms ] ;id type resnr residu atom cgnr charge 1 Nda 1 DPPG NC3 1 0.0 2 Qa 1 DPPG PO4 2 -1.0 3 Na 1 DPPG GL1 3 0 4 Na 1 DPPG GL2 4 0 5 C 1 DPPG C1A 5 0 6 C 1 DPPG C2A 6 0 7 C 1 DPPG C3A 7 0 8 C 1 DPPG C4A 8 0 9 C 1 DPPG C1B 9 0 10 C 1 DPPG C2B 10 0 11 C 1 DPPG C3B 11 0 12 C 1 DPPG C4B 12 0 [bonds] ; i j funct length force.c. 1 2 1 0.470 1250 2 3 1 0.470 1250 3 4 1 0.470 1250 3 5 1 0.470 1250 5 6 1 0.470 1250 6 7 1 0.470 1250 7 8 1 0.470 1250 4 9 1 0.470 1250 9 10 1 0.470 1250 10 11 1 0.470 1250 11 12 1 0.470 1250 [angles] ; i j k funct angle force.c. 2 3 4 2 120.000 25.0 2 3 5 2 180.000 25.0 3 5 6 2 180.000 25.0 5 6 7 2 180.000 25.0 6 7 8 2 180.000 25.0 4 9 10 2 180.000 25.0 9 10 11 2 180.000 25.0 10 11 12 2 180.000 25.0 [ moleculetype ] ; molname nrexcl DLPG 1 [ atoms ] ;id type resnr residu atom cgnr charge 1 Nda 1 DLPG NC3 1 0 2 Qa 1 DLPG PO4 2 -1.0 3 Na 1 DLPG GL1 3 0 4 Na 1 DLPG GL2 4 0 5 C 1 DLPG C1A 5 0 6 C 1 DLPG C2A 6 0 7 C 1 DLPG C3A 7 0 8 C 1 DLPG C1B 8 0 9 C 1 DLPG C2B 9 0 10 C 1 DLPG C3B 10 0 [bonds] ; i j funct length force.c. 1 2 1 0.47 1250 2 3 1 0.47 1250 3 4 1 0.47 1250 3 5 1 0.47 1250 5 6 1 0.47 1250 6 7 1 0.47 1250 4 8 1 0.47 1250 8 9 1 0.47 1250 9 10 1 0.47 1250 [angles] ; i j k funct angle force.c. 2 3 4 2 120.000 25.0 2 3 5 2 180.000 25.0 3 5 6 2 180.000 25.0 5 6 7 2 180.000 25.0 4 8 9 2 180.000 25.0 8 9 10 2 180.000 25.0 [ moleculetype ] ; molname nrexcl POPG 1 [ atoms ] ;id type resnr residu atom cgnr charge 1 Nda 1 POPG NC3 1 0 2 Qa 1 POPG PO4 2 -1.0 3 Na 1 POPG GL1 3 0 4 Na 1 POPG GL2 4 0 5 C 1 POPG C1A 5 0 6 C 1 POPG C2A 6 0 7 C 1 POPG C3A 7 0 8 C 1 POPG C4A 8 0 9 C 1 POPG C1B 9 0 10 C 1 POPG C2B 10 0 11 C 1 POPG D3B 11 0 12 C 1 POPG C4B 12 0 13 C 1 POPG C5B 13 0 [bonds] ; i j funct length force.c. 1 2 1 0.47 1250 2 3 1 0.47 1250 3 4 1 0.47 1250 3 5 1 0.47 1250 5 6 1 0.47 1250 6 7 1 0.47 1250 7 8 1 0.47 1250 4 9 1 0.47 1250 9 10 1 0.47 1250 10 11 1 0.47 1250 11 12 1 0.47 1250 12 13 1 0.47 1250 [angles] ; i j k funct angle force.c. 2 3 4 2 120.000 25.0 2 3 5 2 180.000 25.0 3 5 6 2 180.000 25.0 5 6 7 2 180.000 25.0 6 7 8 2 180.000 25.0 4 9 10 2 180.000 25.0 9 10 11 2 180.000 25.0 10 11 12 2 120.000 35.0 11 12 13 2 180.000 25.0 [ moleculetype ] ; molname nrexcl DOPG 1 [ atoms ] ;id type resnr residu atom cgnr charge 1 Nda 1 DOPG NC3 1 0.0 2 Qa 1 DOPG PO4 2 -1.0 3 Na 1 DOPG GL1 3 0 4 Na 1 DOPG GL2 4 0 5 C 1 DOPG C1A 5 0 6 C 1 DOPG C2A 6 0 7 C 1 DOPG D3A 7 0 8 C 1 DOPG C4A 8 0 9 C 1 DOPG C5A 9 0 10 C 1 DOPG C1B 10 0 11 C 1 DOPG C2B 11 0 12 C 1 DOPG D3B 12 0 13 C 1 DOPG C4B 13 0 14 C 1 DOPG C5B 14 0 [bonds] ; i j funct length force.c. 1 2 1 0.47 1250 2 3 1 0.47 1250 3 4 1 0.47 1250 3 5 1 0.47 1250 5 6 1 0.47 1250 6 7 1 0.47 1250 7 8 1 0.47 1250 8 9 1 0.47 1250 4 10 1 0.47 1250 10 11 1 0.47 1250 11 12 1 0.47 1250 12 13 1 0.47 1250 13 14 1 0.47 1250 [angles] ; i j k funct angle force.c. 2 3 4 2 120.000 25.0 2 3 5 2 180.000 25.0 3 5 6 2 180.000 25.0 5 6 7 2 180.000 25.0 6 7 8 2 120.000 35.0 7 8 9 2 180.000 25.0 4 10 11 2 180.000 25.0 10 11 12 2 180.000 25.0 11 12 13 2 120.000 35.0 12 13 14 2 180.000 25.0 6135