;; this forcefield is a mixture of lipid and GROMOS parameters. GROMOS ;; parameters taken from ffgmxnb.itp, lipid parameters from Berger et ;; al, Biophys. J. 72, pp. 2002-2013. Parameters starting with L are ;; lipid parameter. LP2 and LP3 are Bergers pentadecane parameters, ;; the rest is OPLS. The lipids see SPC/SPCE, and lipids as ;; OPLS/Berger, protein as GROMOS, the protein sees lipids as GROMOS. ;[ defaults ] ;1 1 [ atomtypes ] ;name mass charge ptype c6 c12 ; LO 15.9994 0.000 A 2.36400e-03 1.59000e-06 ;carbonyl O, OPLS LOM 15.9994 0.000 A 2.36400e-03 1.59000e-06 ;carboxyl O, OPLS LNL 14.0067 0.000 A 3.35300e-03 3.95100e-06 ;Nitrogen, OPLS LC 12.0110 0.000 A 4.88800e-03 1.35900e-05 ;Carbonyl C, OPLS LH1 13.0190 0.000 A 4.03100e-03 1.21400e-05 ;CH1, OPLS LH2 14.0270 0.000 A 7.00200e-03 2.48300e-05 ;CH2, OPLS LP 30.9738 0.000 A 9.16000e-03 2.50700e-05 ;phosphor, OPLS LOS 15.9994 0.000 A 2.56300e-03 1.86800e-06 ;ester oxygen, OPLS LP2 14.0270 0.000 A 5.87400e-03 2.26500e-05 ;RB CH2, Bergers LJ LP3 15.0350 0.000 A 8.77700e-03 3.38500e-05 ;RB CH3, Bergers LJ LC3 15.0350 0.000 A 9.35700e-03 3.60900e-05 ;CH3, OPLS LC2 14.0270 0.000 A 5.94700e-03 1.79000e-05 ;CH2, OPLS [ nonbond_params ] ; i j func c6 c12 LO LO 1 2.36400e-03 1.59000e-06 LO LOM 1 2.36400e-03 1.59000e-06 LO LNL 1 2.81600e-03 2.50600e-06 LO LC 1 3.39900e-03 4.64800e-06 LO LH1 1 3.08700e-03 4.39300e-06 LO LH2 1 4.06900e-03 6.28300e-06 LO LP 1 4.65300e-03 6.31300e-06 LO LOS 1 2.46100e-03 1.72300e-06 LO LP2 1 3.72700e-03 6.00000e-06 LO LP3 1 4.55500e-03 7.33500e-06 LO LC3 1 4.70300e-03 7.57400e-06 LO LC2 1 3.74900e-03 5.33500e-06 LOM LOM 1 2.36400e-03 1.59000e-06 LOM LNL 1 2.81600e-03 2.50600e-06 LOM LC 1 3.39900e-03 4.64800e-06 LOM LH1 1 3.08700e-03 4.39300e-06 LOM LH2 1 4.06900e-03 6.28300e-06 LOM LP 1 4.65300e-03 6.31300e-06 LOM LOS 1 2.46100e-03 1.72300e-06 LOM LP2 1 3.72700e-03 6.00000e-06 LOM LP3 1 4.55500e-03 7.33500e-06 LOM LC3 1 4.70300e-03 7.57400e-06 LOM LC2 1 3.74900e-03 5.33500e-06 LNL LNL 1 3.35300e-03 3.95100e-06 LNL LC 1 4.04900e-03 7.32800e-06 LNL LH1 1 3.67700e-03 6.92500e-06 LNL LH2 1 4.84600e-03 9.90500e-06 LNL LP 1 5.54200e-03 9.95300e-06 LNL LOS 1 2.93200e-03 2.71700e-06 LNL LP2 1 4.43800e-03 9.46000e-06 LNL LP3 1 5.42500e-03 1.15600e-05 LNL LC3 1 5.60100e-03 1.19400e-05 LNL LC2 1 4.46600e-03 8.41100e-06 LC LC 1 4.88800e-03 1.35900e-05 LC LH1 1 4.43900e-03 1.28400e-05 LC LH2 1 5.85100e-03 1.83700e-05 LC LP 1 6.69100e-03 1.84600e-05 LC LOS 1 3.53900e-03 5.03800e-06 LC LP2 1 5.35900e-03 1.75400e-05 LC LP3 1 6.55000e-03 2.14500e-05 LC LC3 1 6.76300e-03 2.21500e-05 LC LC2 1 5.39100e-03 1.56000e-05 LH1 LH1 1 4.03100e-03 1.21400e-05 LH1 LH2 1 5.31300e-03 1.73600e-05 LH1 LP 1 6.07700e-03 1.74400e-05 LH1 LOS 1 3.21400e-03 4.76100e-06 LH1 LP2 1 4.86600e-03 1.65800e-05 LH1 LP3 1 5.94800e-03 2.02700e-05 LH1 LC3 1 6.14200e-03 2.09300e-05 LH1 LC2 1 4.89600e-03 1.47400e-05 LH2 LH2 1 7.00200e-03 2.48300e-05 LH2 LP 1 8.00900e-03 2.49500e-05 LH2 LOS 1 4.23600e-03 6.81000e-06 LH2 LP2 1 6.41400e-03 2.37100e-05 LH2 LP3 1 7.83900e-03 2.89900e-05 LH2 LC3 1 8.09500e-03 2.99300e-05 LH2 LC2 1 6.45300e-03 2.10800e-05 LP LP 1 9.16000e-03 2.50700e-05 LP LOS 1 4.84500e-03 6.84200e-06 LP LP2 1 7.33500e-03 2.38300e-05 LP LP3 1 8.96600e-03 2.91300e-05 LP LC3 1 9.25800e-03 3.00800e-05 LP LC2 1 7.38100e-03 2.11900e-05 LOS LOS 1 2.56300e-03 1.86800e-06 LOS LP2 1 3.88000e-03 6.50400e-06 LOS LP3 1 4.74300e-03 7.95100e-06 LOS LC3 1 4.89700e-03 8.21000e-06 LOS LC2 1 3.90400e-03 5.78200e-06 LP2 LP2 1 5.87400e-03 2.26500e-05 LP2 LP3 1 7.18000e-03 2.76900e-05 LP2 LC3 1 7.41400e-03 2.85900e-05 LP2 LC2 1 5.91000e-03 2.01400e-05 LP3 LP3 1 8.77700e-03 3.38500e-05 LP3 LC3 1 9.06200e-03 3.49500e-05 LP3 LC2 1 7.22400e-03 2.46200e-05 LC3 LC3 1 9.35700e-03 3.60900e-05 LC3 LC2 1 7.45900e-03 2.54200e-05 LC2 LC2 1 5.94700e-03 1.79000e-05 ;; paramaters for lipid-GROMOS interactions LNL C 1 2.387718e-03 2.389594e-06 LNL CA 1 1.564886e-03 9.180497e-07 LNL CB 1 2.387718e-03 2.389594e-06 LNL CD 1 4.695670e-03 6.068215e-06 LNL CH1 1 5.517495e-03 1.101928e-05 LNL CH2 1 4.707795e-03 7.732889e-06 LNL CH3 1 4.650261e-03 6.652538e-06 LNL CL 1 5.799078e-03 0.31725E-04 LNL CP2 1 3.387224e-03 4.669570e-06 LNL CP3 1 4.080825e-03 5.625946e-06 LNL CR5 1 3.664868e-03 5.058566e-06 LNL CR51 1 3.664868e-03 5.058566e-06 LNL CR6 1 3.664868e-03 5.058566e-06 LNL CR61 1 3.664868e-03 5.058566e-06 LNL CS1 1 5.517495e-03 1.101928e-05 LNL CS2 1 4.707795e-03 7.732889e-06 LNL F 1 4.367573e-03 6.531746e-06 LNL FE 1 0.000000e+00 0.000000e+00 LNL H 1 0.000000e+00 0.000000e+00 LNL HCR 1 4.543231e-04 1.599289e-07 LNL HO 1 0.000000e+00 0.000000e+00 LNL HS 1 0.000000e+00 0.000000e+00 LNL MG 1 3.987952e-04 7.594537e-08 LNL N 1 2.436200e-03 1.692400e-06 LNL NA 1 4.189870e-04 1.885844e-07 LNL NE 1 2.436200e-03 1.692400e-06 LNL NL 1 2.436200e-03 0.16924E-05 LNL NP 1 2.436200e-03 1.692400e-06 LNL NR5 1 2.436200e-03 0.56484E-05 LNL NR5* 1 2.436200e-03 1.692400e-06 LNL NR6 1 2.436200e-03 0.56484E-05 LNL NR6* 1 2.436200e-03 1.692400e-06 LNL NT 1 2.436200e-03 1.692400e-06 LNL NZ 1 2.436200e-03 1.692400e-06 LNL O 1 2.347329e-03 1.120290e-06 LNL OA 1 2.347329e-03 1.596588e-06 LNL OD 1 2.352409e-03 0.26598E-05 LNL OM 1 2.347329e-03 1.120290e-06 LNL OS 1 2.347329e-03 0.37656E-05 LNL OWT3 1 2.462409e-03 0.47880E-05 LNL P 1 5.992054e-03 6.128299e-06 LNL S 1 4.931936e-03 4.704594e-06 LNL SD 1 5.072347e-03 6.031990e-06 LNL SI 1 5.992054e-03 6.128299e-06 LNL ZN 1 0.000000e+00 1.263986e-07 LOS C 1 2.300615e-03 1.581800e-06 LOS CA 1 1.507800e-03 0.86609E-06 LOS CB 1 2.300615e-03 1.581800e-06 LOS CD 1 4.524375e-03 4.016877e-06 LOS CH1 1 5.316221e-03 7.294254e-06 LOS CH2 1 4.536057e-03 5.118813e-06 LOS CH3 1 4.480623e-03 4.403671e-06 LOS CL 1 5.587531e-03 8.904062e-06 LOS CP2 1 3.263660e-03 3.091038e-06 LOS CP3 1 3.931959e-03 3.724115e-06 LOS CR5 1 3.531176e-03 3.348535e-06 LOS CR51 1 3.531176e-03 3.348535e-06 LOS CR6 1 3.531176e-03 3.348535e-06 LOS CR61 1 3.531176e-03 3.348535e-06 LOS CS1 1 5.316221e-03 7.294254e-06 LOS CS2 1 4.536057e-03 5.118813e-06 LOS F 1 4.208246e-03 4.323713e-06 LOS FE 1 0.000000e+00 0.000000e+00 LOS H 1 0.000000e+00 0.000000e+00 LOS HCR 1 4.377497e-04 1.058655e-07 LOS HO 1 0.000000e+00 0.000000e+00 LOS HS 1 0.000000e+00 0.000000e+00 LOS MG 1 3.842474e-04 0.71647E-07 LOS N 1 2.347329e-03 1.120290e-06 LOS NA 1 4.037027e-04 0.17791E-06 LOS NE 1 2.347329e-03 1.120290e-06 LOS NL 1 2.347329e-03 1.120290e-06 LOS NP 1 2.347329e-03 1.120290e-06 LOS NR5 1 2.347329e-03 1.120290e-06 LOS NR5* 1 2.347329e-03 1.120290e-06 LOS NR6 1 2.347329e-03 1.120290e-06 LOS NR6* 1 2.347329e-03 0.22594E-05 LOS NT 1 2.347329e-03 1.120290e-06 LOS NZ 1 2.347329e-03 1.120290e-06 LOS O 1 2.261700e-03 7.415800e-07 LOS OA 1 2.261700e-03 1.056867e-06 LOS OD 1 2.266595e-03 7.465086e-07 LOS OM 1 2.261700e-03 7.415800e-07 LOS OS 1 2.261700e-03 7.415800e-07 LOS OWT3 1 2.372582e-03 0.19152E-05 LOS P 1 5.773468e-03 4.056649e-06 LOS S 1 4.752022e-03 3.114223e-06 LOS SD 1 4.887312e-03 3.992897e-06 LOS SI 1 5.773468e-03 0.57815E-05 LOS ZN 1 0.000000e+00 8.366997e-08 LOM C 1 2.300615e-03 1.581800e-06 LOM CA 1 1.507800e-03 0.21652E-05 LOM CB 1 2.300615e-03 1.581800e-06 LOM CD 1 4.524375e-03 4.016877e-06 LOM CH1 1 5.316221e-03 7.294254e-06 LOM CH2 1 4.536057e-03 5.118813e-06 LOM CH3 1 4.480623e-03 4.403671e-06 LOM CL 1 5.587531e-03 8.904062e-06 LOM CP2 1 3.263660e-03 3.091038e-06 LOM CP3 1 3.931959e-03 3.724115e-06 LOM CR5 1 3.531176e-03 3.348535e-06 LOM CR51 1 3.531176e-03 3.348535e-06 LOM CR6 1 3.531176e-03 3.348535e-06 LOM CR61 1 3.531176e-03 3.348535e-06 LOM CS1 1 5.316221e-03 7.294254e-06 LOM CS2 1 4.536057e-03 5.118813e-06 LOM F 1 4.208246e-03 4.323713e-06 LOM FE 1 0.000000e+00 0.000000e+00 LOM H 1 0.000000e+00 0.000000e+00 LOM HCR 1 4.377497e-04 1.058655e-07 LOM HO 1 0.000000e+00 0.000000e+00 LOM HS 1 0.000000e+00 0.000000e+00 LOM MG 1 3.842474e-04 0.17912E-06 LOM N 1 2.347329e-03 0.35773E-05 LOM NA 1 4.037027e-04 0.44478E-06 LOM NE 1 2.347329e-03 0.60877E-05 LOM NL 1 2.347329e-03 0.94140E-05 LOM NP 1 2.347329e-03 1.120290e-06 LOM NR5 1 2.347329e-03 1.120290e-06 LOM NR5* 1 2.347329e-03 0.33890E-05 LOM NR6 1 2.347329e-03 1.120290e-06 LOM NR6* 1 2.347329e-03 0.33890E-05 LOM NT 1 2.347329e-03 0.41422E-05 LOM NZ 1 2.347329e-03 0.65898E-05 LOM O 1 2.261700e-03 7.415800e-07 LOM OA 1 2.261700e-03 0.22594E-05 LOM OD 1 2.266595e-03 7.465086e-07 LOM OM 1 2.261700e-03 0.74158E-06 LOM OS 1 2.261700e-03 7.415800e-07 LOM OWT3 1 2.372582e-03 0.28728E-05 LOM P 1 5.773468e-03 0.14454E-04 LOM S 1 4.752022e-03 3.114223e-06 LOM SD 1 4.887312e-03 3.992897e-06 LOM SI 1 5.773468e-03 0.86722E-05 LOM ZN 1 0.000000e+00 0.17887E-06 LO C 1 2.300615e-03 1.581800e-06 LO CA 1 1.507800e-03 0.79391E-06 ; LO CB 1 2.300615e-03 1.581800e-06 LO CD 1 4.524375e-03 4.016877e-06 LO CH1 1 5.316221e-03 7.294254e-06 LO CH2 1 4.536057e-03 5.118813e-06 LO CH3 1 4.480623e-03 4.403671e-06 LO CL 1 5.587531e-03 8.904062e-06 LO CP2 1 3.263660e-03 3.091038e-06 LO CP3 1 3.931959e-03 3.724115e-06 LO CR5 1 3.531176e-03 3.348535e-06 LO CR51 1 3.531176e-03 3.348535e-06 LO CR6 1 3.531176e-03 3.348535e-06 LO CR61 1 3.531176e-03 3.348535e-06 LO CS1 1 5.316221e-03 7.294254e-06 LO CS2 1 4.536057e-03 5.118813e-06 LO F 1 4.208246e-03 4.323713e-06 LO FE 1 0.000000e+00 0.000000e+00 LO H 1 0.000000e+00 0.000000e+00 LO HCR 1 4.377497e-04 1.058655e-07 LO HO 1 0.000000e+00 0.000000e+00 LO HS 1 0.000000e+00 0.000000e+00 LO MG 1 3.842474e-04 0.65676E-07 LO N 1 2.347329e-03 0.21861E-05 ; LO NA 1 4.037027e-04 0.16309E-06 LO NE 1 2.347329e-03 0.22322E-05 LO NL 1 2.347329e-03 0.34518E-05 ; LO NP 1 2.347329e-03 0.52997E-05 LO NR5 1 2.347329e-03 1.120290e-06 LO NR5* 1 2.347329e-03 0.20711E-05 ; LO NR6 1 2.347329e-03 1.120290e-06 LO NR6* 1 2.347329e-03 0.20711E-05 LO NT 1 2.347329e-03 0.25313E-05 ; LO NZ 1 2.347329e-03 0.24163E-05 LO O 1 2.261700e-03 7.415800e-07 LO OA 1 2.261700e-03 0.13807E-05 LO OD 1 2.266595e-03 7.465086e-07 LO OM 1 2.261700e-03 7.415800e-07 LO OS 1 2.261700e-03 7.415800e-07 LO OWT3 1 2.372582e-03 0.17556E-05 LO P 1 5.773468e-03 4.056649e-06 LO S 1 4.752022e-03 3.114223e-06 LO SD 1 4.887312e-03 3.992897e-06 LO SI 1 5.773468e-03 0.52997E-05 LO ZN 1 0.000000e+00 0.10931E-06 LP C 1 5.872807e-03 8.652886e-06 LP CA 1 3.848979e-03 3.324322e-06 LP CB 1 5.872807e-03 8.652886e-06 LP CD 1 1.154942e-02 2.197343e-05 LP CH1 1 1.357078e-02 3.990160e-05 LP CH2 1 1.157925e-02 2.800133e-05 LP CH3 1 1.143774e-02 2.408931e-05 LP CL 1 1.426336e-02 0.48709E-04 LP CP2 1 8.331183e-03 1.690884e-05 LP CP3 1 1.003716e-02 2.037194e-05 LP CR5 1 9.014075e-03 1.831742e-05 LP CR51 1 9.014075e-03 1.831742e-05 LP CR6 1 9.014075e-03 1.831742e-05 LP CR61 1 9.014075e-03 1.831742e-05 LP CS1 1 1.357078e-02 3.990160e-05 LP CS2 1 1.157925e-02 2.800133e-05 LP F 1 1.074244e-02 2.365191e-05 LP FE 1 0.000000e+00 0.000000e+00 LP H 1 0.000000e+00 0.000000e+00 LP HCR 1 1.117449e-03 5.791136e-07 LP HO 1 0.000000e+00 0.000000e+00 LP HS 1 0.000000e+00 0.000000e+00 LP MG 1 9.808728e-04 2.750035e-07 LP N 1 5.992054e-03 6.128299e-06 LP NA 1 1.030537e-03 6.828775e-07 LP NE 1 5.992054e-03 6.128299e-06 LP NL 1 5.992054e-03 6.128299e-06 LP NP 1 5.992054e-03 6.128299e-06 LP NR5 1 5.992054e-03 6.128299e-06 LP NR5* 1 5.992054e-03 6.128299e-06 LP NR6 1 5.992054e-03 0.86722E-05 LP NR6* 1 5.992054e-03 6.128299e-06 LP NT 1 5.992054e-03 6.128299e-06 LP NZ 1 5.992054e-03 6.128299e-06 LP O 1 5.773468e-03 4.056649e-06 LP OA 1 5.773468e-03 5.781357e-06 LP OD 1 5.785963e-03 4.083610e-06 LP OM 1 5.773468e-03 4.056649e-06 LP OS 1 5.773468e-03 0.57815E-05 LP OWT3 1 6.056518e-03 0.73511E-05 LP P 1 1.473800e-02 2.219100e-05 LP S 1 1.213054e-02 1.703567e-05 LP SD 1 1.247590e-02 2.184226e-05 LP SI 1 1.473800e-02 2.219100e-05 LP ZN 1 0.000000e+00 4.576980e-07 LC C 1 2.340200e-03 3.374000e-06 LC CA 1 1.533743e-03 1.296245e-06 LC CB 1 2.340200e-03 3.374000e-06 LC CD 1 4.602222e-03 8.568051e-06 LC CH1 1 5.407693e-03 1.555874e-05 LC CH2 1 4.614105e-03 1.091850e-05 LC CH3 1 4.557717e-03 9.393088e-06 LC CL 1 5.683671e-03 1.899248e-05 LC CP2 1 3.319815e-03 6.593225e-06 LC CP3 1 3.999613e-03 7.943585e-06 LC CR5 1 3.591934e-03 7.142470e-06 LC CR51 1 3.591934e-03 7.142470e-06 LC CR6 1 3.591934e-03 7.142470e-06 LC CR61 1 3.591934e-03 7.142470e-06 LC CS1 1 5.407693e-03 1.555874e-05 LC CS2 1 4.614105e-03 1.091850e-05 LC F 1 4.280654e-03 9.222536e-06 LC FE 1 0.000000e+00 0.000000e+00 LC H 1 0.000000e+00 0.000000e+00 LC HCR 1 4.452817e-04 2.258124e-07 LC HO 1 0.000000e+00 0.000000e+00 LC HS 1 0.000000e+00 0.000000e+00 LC MG 1 3.908588e-04 1.072315e-07 LC N 1 2.387718e-03 2.389594e-06 LC NA 1 4.106488e-04 2.662729e-07 LC NE 1 2.387718e-03 2.389594e-06 LC NL 1 2.387718e-03 2.389594e-06 LC NP 1 2.387718e-03 2.389594e-06 LC NR5 1 2.387718e-03 2.389594e-06 LC NR5* 1 2.387718e-03 2.389594e-06 LC NR6 1 2.387718e-03 2.389594e-06 LC NR6* 1 2.387718e-03 2.389594e-06 LC NT 1 2.387718e-03 2.389594e-06 LC NZ 1 2.387718e-03 2.389594e-06 LC O 1 2.300615e-03 1.581800e-06 LC OA 1 2.300615e-03 2.254311e-06 LC OD 1 2.305594e-03 1.592313e-06 LC OM 1 2.300615e-03 1.581800e-06 LC OS 1 2.300615e-03 1.581800e-06 LC OWT3 1 2.413405e-03 2.866420e-06 LC P 1 5.872807e-03 8.652886e-06 LC S 1 4.833787e-03 6.642678e-06 LC SD 1 4.971403e-03 8.516902e-06 LC SI 1 5.872807e-03 8.652886e-06 LC ZN 1 0.000000e+00 1.784691e-07 LH1 C 1 5.407693e-03 1.555874e-05 LH1 CA 1 3.544147e-03 5.977458e-06 LH1 CB 1 5.407693e-03 1.555874e-05 LH1 CD 1 1.063473e-02 3.951039e-05 LH1 CH1 1 1.249600e-02 7.174700e-05 LH1 CH2 1 1.066219e-02 5.034915e-05 LH1 CH3 1 1.053189e-02 4.331494e-05 LH1 CL 1 1.313373e-02 8.758123e-05 LH1 CP2 1 7.671370e-03 3.040376e-05 LH1 CP3 1 9.242235e-03 3.663076e-05 LH1 CR5 1 8.300178e-03 3.293652e-05 LH1 CR51 1 8.300178e-03 3.293652e-05 LH1 CR6 1 8.300178e-03 3.293652e-05 LH1 CR61 1 8.300178e-03 3.293652e-05 LH1 CS1 1 1.249600e-02 7.174700e-05 LH1 CS2 1 1.066219e-02 5.034915e-05 LH1 F 1 9.891660e-03 4.252846e-05 LH1 FE 1 0.000000e+00 0.000000e+00 LH1 H 1 0.000000e+00 0.000000e+00 LH1 HCR 1 1.028949e-03 1.041303e-06 LH1 HO 1 0.000000e+00 0.000000e+00 LH1 HS 1 0.000000e+00 0.000000e+00 LH1 MG 1 9.031896e-04 4.944833e-07 LH1 N 1 5.517495e-03 1.101928e-05 LH1 NA 1 9.489201e-04 1.227881e-06 LH1 NE 1 5.517495e-03 1.101928e-05 LH1 NL 1 5.517495e-03 1.101928e-05 LH1 NP 1 5.517495e-03 1.101928e-05 LH1 NR5 1 5.517495e-03 1.101928e-05 LH1 NR5* 1 5.517495e-03 1.101928e-05 LH1 NR6 1 5.517495e-03 1.101928e-05 LH1 NR6* 1 5.517495e-03 1.101928e-05 LH1 NT 1 5.517495e-03 1.101928e-05 LH1 NZ 1 5.517495e-03 1.101928e-05 LH1 O 1 5.316221e-03 7.294254e-06 LH1 OA 1 5.316221e-03 1.039545e-05 LH1 OD 1 5.327726e-03 7.342732e-06 LH1 OM 1 5.316221e-03 7.294254e-06 LH1 OS 1 5.316221e-03 7.294254e-06 LH1 OWT3 1 5.576853e-03 1.321810e-05 LH1 P 1 1.357078e-02 3.990160e-05 LH1 S 1 1.116983e-02 3.063180e-05 LH1 SD 1 1.148783e-02 3.927453e-05 LH1 SI 1 1.357078e-02 3.990160e-05 LH1 ZN 1 0.000000e+00 8.229860e-07 LC2 C 1 4.614105e-03 1.091850e-05 LC2 CA 1 3.024038e-03 4.194739e-06 LC2 CB 1 4.614105e-03 1.091850e-05 LC2 CD 1 9.074070e-03 2.772680e-05 LC2 CH1 1 1.066219e-02 5.034915e-05 LC2 CH2 1 9.097500e-03 3.533300e-05 LC2 CH3 1 8.986321e-03 3.039668e-05 LC2 CL 1 1.120633e-02 6.146097e-05 LC2 CP2 1 6.545584e-03 2.133613e-05 LC2 CP3 1 7.885923e-03 2.570599e-05 LC2 CR5 1 7.082114e-03 2.311352e-05 LC2 CR51 1 7.082114e-03 2.311352e-05 LC2 CR6 1 7.082114e-03 2.311352e-05 LC2 CR61 1 7.082114e-03 2.311352e-05 LC2 CS1 1 1.066219e-02 5.034915e-05 LC2 CS2 1 9.097500e-03 3.533300e-05 LC2 F 1 8.440044e-03 2.984476e-05 LC2 FE 1 0.000000e+00 0.000000e+00 LC2 HCR 1 8.779492e-04 7.307446e-07 LC2 HO 1 0.000000e+00 0.000000e+00 LC2 HS 1 0.000000e+00 0.000000e+00 LC2 HW 1 0.000000e+00 0.000000e+00 LC2 MG 1 7.706451e-04 3.470084e-07 LC2 N 1 4.707795e-03 7.732889e-06 LC2 NA 1 8.096646e-04 8.616772e-07 LC2 NE 1 4.707795e-03 7.732889e-06 LC2 NL 1 4.707795e-03 7.732889e-06 LC2 NP 1 4.707795e-03 7.732889e-06 LC2 NR5 1 4.707795e-03 7.732889e-06 LC2 NR5* 1 4.707795e-03 7.732889e-06 LC2 NR6 1 4.707795e-03 7.732889e-06 LC2 NR6* 1 4.707795e-03 7.732889e-06 LC2 NT 1 4.707795e-03 7.732889e-06 LC2 NZ 1 4.707795e-03 7.732889e-06 LC2 O 1 4.536057e-03 5.118813e-06 LC2 OA 1 4.536057e-03 7.295106e-06 LC2 OD 1 4.545874e-03 5.152833e-06 LC2 OM 1 4.536057e-03 5.118813e-06 LC2 OS 1 4.536057e-03 5.118813e-06 LC2 OWT3 1 4.758442e-03 9.275932e-06 LC2 P 1 1.157925e-02 2.800133e-05 LC2 S 1 9.530639e-03 2.149616e-05 LC2 SD 1 9.801974e-03 2.756128e-05 LC2 SI 1 1.157925e-02 2.800133e-05 LC2 ZN 1 0.000000e+00 5.775384e-07 LH2 C 1 4.614105e-03 1.091850e-05 LH2 CA 1 3.024038e-03 4.194739e-06 LH2 CB 1 4.614105e-03 1.091850e-05 LH2 CD 1 9.074070e-03 2.772680e-05 LH2 CH1 1 1.066219e-02 5.034915e-05 LH2 CH2 1 9.097500e-03 3.533300e-05 LH2 CH3 1 8.986321e-03 3.039668e-05 LH2 CL 1 1.120633e-02 6.146097e-05 LH2 CP2 1 6.545584e-03 2.133613e-05 LH2 CP3 1 7.885923e-03 2.570599e-05 LH2 CR5 1 7.082114e-03 2.311352e-05 LH2 CR51 1 7.082114e-03 2.311352e-05 LH2 CR6 1 7.082114e-03 2.311352e-05 LH2 CR61 1 7.082114e-03 2.311352e-05 LH2 CS1 1 1.066219e-02 5.034915e-05 LH2 CS2 1 9.097500e-03 3.533300e-05 LH2 F 1 8.440044e-03 2.984476e-05 LH2 FE 1 0.000000e+00 0.000000e+00 LH2 H 1 0.000000e+00 0.000000e+00 LH2 HCR 1 8.779492e-04 7.307446e-07 LH2 HO 1 0.000000e+00 0.000000e+00 LH2 HS 1 0.000000e+00 0.000000e+00 LH2 MG 1 7.706451e-04 3.470084e-07 LH2 N 1 4.707795e-03 7.732889e-06 LH2 NA 1 8.096646e-04 8.616772e-07 LH2 NE 1 4.707795e-03 7.732889e-06 LH2 NL 1 4.707795e-03 7.732889e-06 LH2 NP 1 4.707795e-03 7.732889e-06 LH2 NR5 1 4.707795e-03 7.732889e-06 LH2 NR5* 1 4.707795e-03 7.732889e-06 LH2 NR6 1 4.707795e-03 7.732889e-06 LH2 NR6* 1 4.707795e-03 7.732889e-06 LH2 NT 1 4.707795e-03 7.732889e-06 LH2 NZ 1 4.707795e-03 7.732889e-06 LH2 O 1 4.536057e-03 5.118813e-06 LH2 OA 1 4.536057e-03 7.295106e-06 LH2 OD 1 4.545874e-03 5.152833e-06 LH2 OM 1 4.536057e-03 5.118813e-06 LH2 OS 1 4.536057e-03 5.118813e-06 LH2 OWT3 1 4.758442e-03 9.275932e-06 LH2 P 1 1.157925e-02 2.800133e-05 LH2 S 1 9.530639e-03 2.149616e-05 LH2 SD 1 9.801974e-03 2.756128e-05 LH2 SI 1 1.157925e-02 2.800133e-05 LH2 ZN 1 0.000000e+00 5.775384e-07 LP2 C 1 4.614105e-03 1.091850e-05 LP2 CA 1 3.024038e-03 4.194739e-06 LP2 CB 1 4.614105e-03 1.091850e-05 LP2 CD 1 9.074070e-03 2.772680e-05 LP2 CH1 1 1.066219e-02 5.034915e-05 LP2 CH2 1 9.097500e-03 3.533300e-05 LP2 CH3 1 8.986321e-03 3.039668e-05 LP2 CL 1 1.120633e-02 6.146097e-05 LP2 CP2 1 6.545584e-03 2.133613e-05 LP2 CP3 1 7.885923e-03 2.570599e-05 LP2 CR5 1 7.082114e-03 2.311352e-05 LP2 CR51 1 7.082114e-03 2.311352e-05 LP2 CR6 1 7.082114e-03 2.311352e-05 LP2 CR61 1 7.082114e-03 2.311352e-05 LP2 CS1 1 1.066219e-02 5.034915e-05 LP2 CS2 1 9.097500e-03 3.533300e-05 LP2 F 1 8.440044e-03 2.984476e-05 LP2 FE 1 0.000000e+00 0.000000e+00 LP2 H 1 0.000000e+00 0.000000e+00 LP2 HCR 1 8.779492e-04 7.307446e-07 LP2 HO 1 0.000000e+00 0.000000e+00 LP2 HS 1 0.000000e+00 0.000000e+00 LP2 MG 1 7.706451e-04 3.470084e-07 LP2 N 1 4.707795e-03 7.732889e-06 LP2 NA 1 8.096646e-04 8.616772e-07 LP2 NE 1 4.707795e-03 7.732889e-06 LP2 NL 1 4.707795e-03 7.732889e-06 LP2 NP 1 4.707795e-03 7.732889e-06 LP2 NR5 1 4.707795e-03 7.732889e-06 LP2 NR5* 1 4.707795e-03 7.732889e-06 LP2 NR6 1 4.707795e-03 7.732889e-06 LP2 NR6* 1 4.707795e-03 7.732889e-06 LP2 NT 1 4.707795e-03 7.732889e-06 LP2 NZ 1 4.707795e-03 7.732889e-06 LP2 O 1 4.536057e-03 5.118813e-06 LP2 OA 1 4.536057e-03 7.295106e-06 LP2 OD 1 4.545874e-03 5.152833e-06 LP2 OM 1 4.536057e-03 5.118813e-06 LP2 OS 1 4.536057e-03 5.118813e-06 LP2 OWT3 1 4.758442e-03 9.275932e-06 LP2 P 1 1.157925e-02 2.800133e-05 LP2 S 1 9.530639e-03 2.149616e-05 LP2 SD 1 9.801974e-03 2.756128e-05 LP2 SI 1 1.157925e-02 2.800133e-05 LP2 ZN 1 0.000000e+00 5.775384e-07 LP3 C 1 4.557717e-03 9.393088e-06 LP3 CA 1 2.987082e-03 3.608698e-06 LP3 CB 1 4.557717e-03 9.393088e-06 LP3 CD 1 8.963177e-03 2.385313e-05 LP3 CH1 1 1.053189e-02 4.331494e-05 LP3 CH2 1 8.986321e-03 3.039668e-05 LP3 CH3 1 8.876500e-03 2.615000e-05 LP3 CL 1 1.106938e-02 5.287435e-05 LP3 CP2 1 6.465592e-03 1.835529e-05 LP3 CP3 1 7.789550e-03 2.211464e-05 LP3 CR5 1 6.995564e-03 1.988437e-05 LP3 CR51 1 6.995564e-03 1.988437e-05 LP3 CR6 1 6.995564e-03 1.988437e-05 LP3 CR61 1 6.995564e-03 1.988437e-05 LP3 CS1 1 1.053189e-02 4.331494e-05 LP3 CS2 1 8.986321e-03 3.039668e-05 LP3 F 1 8.336899e-03 2.567519e-05 LP3 FE 1 0.000000e+00 0.000000e+00 LP3 H 1 0.000000e+00 0.000000e+00 LP3 HCR 1 8.672199e-04 6.286533e-07 LP3 HO 1 0.000000e+00 0.000000e+00 LP3 HS 1 0.000000e+00 0.000000e+00 LP3 MG 1 7.612272e-04 2.985284e-07 LP3 N 1 4.650261e-03 6.652538e-06 LP3 NA 1 7.997698e-04 7.412935e-07 LP3 NE 1 4.650261e-03 6.652538e-06 LP3 NL 1 4.650261e-03 6.652538e-06 LP3 NP 1 4.650261e-03 6.652538e-06 LP3 NR5 1 4.650261e-03 6.652538e-06 LP3 NR5* 1 4.650261e-03 6.652538e-06 LP3 NR6 1 4.650261e-03 6.652538e-06 LP3 NR6* 1 4.650261e-03 6.652538e-06 LP3 NT 1 4.650261e-03 6.652538e-06 LP3 NZ 1 4.650261e-03 6.652538e-06 LP3 O 1 4.480623e-03 4.403671e-06 LP3 OA 1 4.480623e-03 6.275917e-06 LP3 OD 1 4.490320e-03 4.432938e-06 LP3 OM 1 4.480623e-03 4.403671e-06 LP3 OS 1 4.480623e-03 4.403671e-06 LP3 OWT3 1 4.700289e-03 7.980005e-06 LP3 P 1 1.143774e-02 2.408931e-05 LP3 S 1 9.414166e-03 1.849296e-05 LP3 SD 1 9.682186e-03 2.371073e-05 LP3 SI 1 1.143774e-02 2.408931e-05 LP3 ZN 1 0.000000e+00 4.968513e-07 LC3 C 1 4.557717e-03 9.393088e-06 LC3 CA 1 2.987082e-03 3.608698e-06 LC3 CB 1 4.557717e-03 9.393088e-06 LC3 CD 1 8.963177e-03 2.385313e-05 LC3 CH1 1 1.053189e-02 4.331494e-05 LC3 CH2 1 8.986321e-03 3.039668e-05 LC3 CH3 1 8.876500e-03 2.615000e-05 LC3 CL 1 1.106938e-02 5.287435e-05 LC3 CP2 1 6.465592e-03 1.835529e-05 LC3 CP3 1 7.789550e-03 2.211464e-05 LC3 CR5 1 6.995564e-03 1.988437e-05 LC3 CR51 1 6.995564e-03 1.988437e-05 LC3 CR6 1 6.995564e-03 1.988437e-05 LC3 CR61 1 6.995564e-03 1.988437e-05 LC3 CS1 1 1.053189e-02 4.331494e-05 LC3 CS2 1 8.986321e-03 3.039668e-05 LC3 F 1 8.336899e-03 2.567519e-05 LC3 FE 1 0.000000e+00 0.000000e+00 LC3 H 1 0.000000e+00 0.000000e+00 LC3 HCR 1 8.672199e-04 6.286533e-07 LC3 HO 1 0.000000e+00 0.000000e+00 LC3 HS 1 0.000000e+00 0.000000e+00 LC3 MG 1 7.612272e-04 2.985284e-07 LC3 N 1 4.650261e-03 6.652538e-06 LC3 NA 1 7.997698e-04 7.412935e-07 LC3 NE 1 4.650261e-03 6.652538e-06 LC3 NL 1 4.650261e-03 6.652538e-06 LC3 NP 1 4.650261e-03 6.652538e-06 LC3 NR5 1 4.650261e-03 6.652538e-06 LC3 NR5* 1 4.650261e-03 6.652538e-06 LC3 NR6 1 4.650261e-03 6.652538e-06 LC3 NR6* 1 4.650261e-03 6.652538e-06 LC3 NT 1 4.650261e-03 6.652538e-06 LC3 NZ 1 4.650261e-03 6.652538e-06 LC3 O 1 4.480623e-03 4.403671e-06 LC3 OA 1 4.480623e-03 6.275917e-06 LC3 OD 1 4.490320e-03 4.432938e-06 LC3 OM 1 4.480623e-03 4.403671e-06 LC3 OS 1 4.480623e-03 4.403671e-06 LC3 OWT3 1 4.700289e-03 7.980005e-06 LC3 P 1 1.143774e-02 2.408931e-05 LC3 S 1 9.414166e-03 1.849296e-05 LC3 SD 1 9.682186e-03 2.371073e-05 LC3 SI 1 1.143774e-02 2.408931e-05 LC3 ZN 1 0.000000e+00 4.968513e-07 ;; lipid-SPC/SPCE interactions LO OW 1 2.50200e-03 2.06700e-06 LOM OW 1 2.50200e-03 2.06700e-06 LNL OW 1 2.98000e-03 3.25900e-06 LC OW 1 3.59800e-03 6.04400e-06 LH1 OW 1 3.26800e-03 5.71200e-06 LH2 OW 1 4.30700e-03 8.17000e-06 LP OW 1 4.92600e-03 8.21000e-06 LOS OW 1 2.60500e-03 2.24100e-06 LP2 OW 1 3.94400e-03 7.80300e-06 LP3 OW 1 4.82100e-03 9.53900e-06 LC3 OW 1 4.97800e-03 9.85000e-06 LC2 OW 1 3.96900e-03 6.93800e-06 LNL HW 1 0.000000e+00 0.000000e+00 LOS HW 1 0.000000e+00 0.000000e+00 LOM HW 1 0.000000e+00 0.000000e+00 LO HW 1 0.000000e+00 0.000000e+00 LP HW 1 0.000000e+00 0.000000e+00 LC HW 1 0.000000e+00 0.000000e+00 LH1 HW 1 0.000000e+00 0.000000e+00 LC2 HW 1 0.000000e+00 0.000000e+00 LH2 HW 1 0.000000e+00 0.000000e+00 LP2 HW 1 0.000000e+00 0.000000e+00 LP3 HW 1 0.000000e+00 0.000000e+00 LC3 HW 1 0.000000e+00 0.000000e+00 [ pairtypes ] ; i j func cs6 cs12 LO LO 1 2.95200e-04 1.98700e-07 LO LOM 1 2.95200e-04 1.98700e-07 LO OW 1 3.12800e-04 2.58400e-07 LO LNL 1 3.51800e-04 3.13300e-07 LO LC 1 4.24600e-04 5.80900e-07 LO LH1 1 3.85500e-04 5.49000e-07 LO LH2 1 5.08200e-04 7.85200e-07 LO HW 1 0.00000e+00 0.00000e+00 LO LP 1 5.81300e-04 7.89000e-07 LO LOS 1 3.07500e-04 2.15300e-07 LO LP2 1 4.65700e-04 7.50000e-07 LO LP3 1 5.69000e-04 9.16800e-07 LO LC3 1 5.87600e-04 9.46600e-07 LO LC2 1 4.68500e-04 6.66800e-07 LOM LOM 1 2.95200e-04 1.98700e-07 LOM OW 1 3.12800e-04 2.58400e-07 LOM LNL 1 3.51800e-04 3.13300e-07 LOM LC 1 4.24600e-04 5.80900e-07 LOM LH1 1 3.85500e-04 5.49000e-07 LOM LH2 1 5.08200e-04 7.85200e-07 LOM HW 1 0.00000e+00 0.00000e+00 LOM LP 1 5.81300e-04 7.89000e-07 LOM LOS 1 3.07500e-04 2.15300e-07 LOM LP2 1 4.65700e-04 7.50000e-07 LOM LP3 1 5.69000e-04 9.16800e-07 LOM LC3 1 5.87600e-04 9.46600e-07 LOM LC2 1 4.68500e-04 6.66800e-07 OW LNL 1 3.72700e-04 4.07400e-07 OW LC 1 4.49800e-04 7.55600e-07 OW LH1 1 4.08500e-04 7.14100e-07 OW LH2 1 5.38500e-04 1.02100e-06 OW HW 1 0.00000e+00 0.00000e+00 OW LP 1 6.15900e-04 1.02600e-06 OW LOS 1 3.25800e-04 2.80100e-07 OW LP2 1 4.93400e-04 9.75400e-07 OW LP3 1 6.02900e-04 1.19200e-06 OW LC3 1 6.22600e-04 1.23100e-06 OW LC2 1 4.96400e-04 8.67300e-07 LNL LNL 1 4.19200e-04 4.94000e-07 LNL LC 1 5.05900e-04 9.16100e-07 LNL LH1 1 4.59400e-04 8.65700e-07 LNL LH2 1 6.05600e-04 1.23800e-06 LNL HW 1 0.00000e+00 0.00000e+00 LNL LP 1 6.92700e-04 1.24400e-06 LNL LOS 1 3.66500e-04 3.39600e-07 LNL LP2 1 5.54900e-04 1.18300e-06 LNL LP3 1 6.78100e-04 1.44600e-06 LNL LC3 1 7.00300e-04 1.49300e-06 LNL LC2 1 5.58300e-04 1.05100e-06 LC LC 1 6.10600e-04 1.69900e-06 LC LH1 1 5.54500e-04 1.60500e-06 LC LH2 1 7.30800e-04 2.29600e-06 LC HW 1 0.00000e+00 0.00000e+00 LC LP 1 8.36000e-04 2.30700e-06 LC LOS 1 4.42200e-04 6.29700e-07 LC LP2 1 6.69700e-04 2.19300e-06 LC LP3 1 8.18300e-04 2.68100e-06 LC LC3 1 8.45100e-04 2.76800e-06 LC LC2 1 6.73700e-04 1.95000e-06 LH1 LH1 1 5.03500e-04 1.51700e-06 LH1 LH2 1 6.63700e-04 2.17000e-06 LH1 HW 1 0.00000e+00 0.00000e+00 LH1 LP 1 7.59200e-04 2.18000e-06 LH1 LOS 1 4.01600e-04 5.95100e-07 LH1 LP2 1 6.08200e-04 2.07300e-06 LH1 LP3 1 7.43100e-04 2.53400e-06 LH1 LC3 1 7.67400e-04 2.61600e-06 LH1 LC2 1 6.11800e-04 1.84300e-06 LH2 LH2 1 8.74800e-04 3.10400e-06 LH2 HW 1 0.00000e+00 0.00000e+00 LH2 LP 1 1.00100e-03 3.11900e-06 LH2 LOS 1 5.29400e-04 8.51200e-07 LH2 LP2 1 8.01600e-04 2.96400e-06 LH2 LP3 1 9.79500e-04 3.62400e-06 LH2 LC3 1 1.01200e-03 3.74200e-06 LH2 LC2 1 8.06500e-04 2.63600e-06 HW HW 1 0.00000e+00 0.00000e+00 HW LP 1 0.00000e+00 0.00000e+00 HW LOS 1 0.00000e+00 0.00000e+00 HW LP2 1 0.00000e+00 0.00000e+00 HW LP3 1 0.00000e+00 0.00000e+00 HW LC3 1 0.00000e+00 0.00000e+00 HW LC2 1 0.00000e+00 0.00000e+00 LP LP 1 1.14500e-03 3.13300e-06 LP LOS 1 6.05500e-04 8.55200e-07 LP LP2 1 9.16900e-04 2.97800e-06 LP LP3 1 1.12000e-03 3.64100e-06 LP LC3 1 1.15700e-03 3.76000e-06 LP LC2 1 9.22500e-04 2.64800e-06 LOS LOS 1 3.20300e-04 2.33400e-07 LOS LP2 1 4.85100e-04 8.12900e-07 LOS LP3 1 5.92700e-04 9.93800e-07 LOS LC3 1 6.12100e-04 1.02600e-06 LOS LC2 1 4.88000e-04 7.22800e-07 LP2 LP2 1 7.34600e-04 2.83100e-06 LP2 LP3 1 8.97500e-04 3.46100e-06 LP2 LC3 1 9.26900e-04 3.57400e-06 LP2 LC2 1 7.39000e-04 2.51700e-06 LP3 LP3 1 1.09700e-03 4.23100e-06 LP3 LC3 1 1.13300e-03 4.36900e-06 LP3 LC2 1 9.03000e-04 3.07700e-06 LC3 LC3 1 1.17000e-03 4.51100e-06 LC3 LC2 1 9.32500e-04 3.17700e-06 LC2 LC2 1 7.43500e-04 2.23800e-06 [ dihedraltypes ] LP2 LP2 3 9.2789 12.156 -13.120 -3.0597 26.240 -31.495 LH2 LH2 3 9.2789 12.156 -13.120 -3.0597 26.240 -31.495