FF_ranking.csv

ID,FF,composition,T,Hydration,Q_FF,Q_OP,Q_OP_tails,Q_OP_heads
414,Slipids,POPE (1),310.0,50.0,1.0,0.568,0.8488,0.0063
360,ECC-lipids,POPC (1),313.0,50.0,0.9999,,,
93,ECC-lipids,POPC (1),313.0,50.0,0.9989,,,
154,Lipid14,POPC (1),303.0,31.0,0.9988,,,
376,Slipids,POPC (1),303.0,40.0,0.9971,,,
751,Charmm-Drude polarizable2023,POPE (1),308.0,32.0,0.9964,0.5239,0.6437,0.2844
127,ECC-lipids,POPC (1),313.0,50.0,0.9936,,,
662,Lipid17,CHOL:POPC (1:4),298.15,50.0,0.9918,,,
814,OPLS4,POPC (1),300.0,45.0,0.9894,0.8,0.8361,0.7278
591,Slipids2020,POPC (1),303.0,40.0,0.9881,,,
267,Poger GROMOS 53A6_L; Reaction Field for computing electrostatics,DPPC (1),323.0,45.6,0.9752,0.047,0.0,0.047
805,OPLS3e,POPC (1),300.0,44.3,0.9747,0.8051,0.8422,0.7309
750,Charmm-Drude polarizable2023,POPE (1),308.0,32.0,0.9718,0.543,0.6667,0.2956
593,Poger GROMOS 53A6_L,DPPC (1),323.0,45.6,0.9712,0.043,0.0,0.043
365,Poger GROMOS 53A6_L,DPPC (1),323.0,45.6,0.9644,0.0759,0.0,0.0759
529,Slipids,POPS (1),298.0,35.0,0.9591,0.1794,0.2129,0.1125
233,CHARMM36-UA,POPE (1),310.0,45.4,0.9536,0.319,0.3421,0.2728
352,CHARMM36-UA,POPE (1),310.0,45.4,0.9529,0.3161,0.3144,0.3195
667,Lipid17,CHOL:POPC (1:4),298.15,50.0,0.9516,,,
747,Charmm-Drude polarizable,POPE (1),308.0,32.0,0.9467,0.5614,0.6934,0.2974
748,Charmm-Drude polarizable,POPC (1),303.0,31.1,0.9421,,,
545,Poger GROMOS 53A6_L; Reaction Field for computing electrostatics,DPPC (1),323.0,45.6,0.9353,0.0566,0.0,0.0566
666,Lipid17,CHOL:POPC (1:4),298.15,50.0,0.9275,,,
443,"ECC-lipids, SPC water model, ECC-ions",POPS (1),298.0,50.0,0.9223,0.4953,0.6622,0.1614
338,Slipids,POPS (1),298.0,35.0,0.9223,0.1626,0.1717,0.1444
400,GROMOS-CKP,POPE (1),310.0,50.0,0.9186,0.4566,0.5374,0.2949
38,Orange,POPC (1),298.0,40.0,0.9079,0.2557,0.3691,0.0287
103,ECC-lipids,POPC (1),313.0,50.0,0.9053,,,
147,Berger lipids + Gromos 53A6,DMPC (1),323.0,28.6,0.898,,,
715,Lipid17,POPC (1),298.15,50.0,0.8957,0.6511,0.7313,0.4905
595,ECC-lipids,POPC (1),313.0,50.0,0.8887,,,
589,Berger and Modified Höltje model for cholesterol,CHOL:POPC (9:55),298.0,66.3,0.8877,0.2862,0.4231,0.0125
680,Lipid17,CHOL:POPC (1:8),298.15,50.0,0.8763,,,
706,MacRog,CHOL:POPC (1:4),298.15,50.0,0.8614,,,
405,ECC-lipids,POPC (1),313.0,50.0,0.8515,,,
584,Lipid14,POPC (1),313.0,31.0,0.8513,,,
657,Lipid17,POPC (1),298.15,50.0,0.8504,0.6659,0.7211,0.5554
473,"GROMOS-CKP, GROMOS NH3 charges and PME",POPS (1),298.0,35.0,0.8487,0.3746,0.4994,0.1252
204,ECC-lipids,POPC (1),313.0,50.0,0.8408,,,
206,Berger and Modified Höltje model for cholesterol,CHOL:POPC (11:21),298.0,53.1,0.8391,0.078,0.1009,0.0321
912,Lipid21(AMBER),DMPC (1),303.15,34.0,0.8243,0.2165,0.1255,0.1821
677,MacRog,CHOL:POPC (1:4),298.15,50.0,0.8223,,,
752,Charmm-Drude polarizable2023,POPC (1),303.0,31.1,0.8172,,,
749,Charmm-Drude polarizable,POPC (1),303.0,31.1,0.8059,,,
684,Lipid17,POPC (1),298.15,50.0,0.7976,0.6725,0.7239,0.5697
602,GAFFlipid,POPC (1),303.0,31.3,0.7804,,,
734,Charmm-Drude,POPC (1),303.0,50.0,0.7691,,,
535,"GROMOS-CKP, Berger/Chiu NH3 charges and PME",POPS (1),298.0,35.0,0.7687,0.3028,0.3524,0.2036
425,"GROMOS-CKP, GROMOS NH3 charges and PME",POPS (1),298.0,35.0,0.7628,0.3796,0.4931,0.1525
617,Slipids,POPC (1),298.0,46.8,0.7597,0.6921,0.7281,0.6203
263,CHARMM36-UA,POPS (1),298.0,35.0,0.7549,0.1621,0.1121,0.2621
696,Slipids,POPC (1),298.15,50.0,0.7477,0.6426,0.669,0.5897
665,MacRog,CHOL:POPC (1:8),298.15,50.0,0.7474,,,
462,CHARMM36,POPC (1),303.0,40.0,0.7433,,,
728,CHARMM36-LJPME,DPPC (1),323.0,31.0,0.7403,0.7976,0.0,0.7976
521,Lipid17 and ff99 ions,POPS (1),298.0,50.0,0.7368,0.1692,0.1856,0.1364
663,Lipid17,CHOL:POPC (1:8),298.15,50.0,0.7302,,,
224,CHARMM36,POPC (1),303.0,31.6,0.7295,,,
361,CHARMM36,POPC (1),303.0,40.0,0.7294,,,
554,CHARMM36,POPC (1),303.0,40.0,0.7254,,,
98,CHARMM36,POPC (1),303.0,40.0,0.7247,,,
310,CHARMM36,POPC (1),303.0,31.6,0.7236,,,
597,"GROMOS-CKP, Berger/Chiu NH3 charges and PME",POPS (1),298.0,35.0,0.7233,0.4026,0.497,0.2137
281,CHARMM36,POPC (1),303.0,31.6,0.7216,,,
99,CHARMM36,POPC (1),303.0,40.0,0.6979,,,
70,CHARMM36,POPC (1),303.0,40.0,0.6936,,,
123,CHARMM36,POPC (1),303.0,40.0,0.6903,,,
428,CHARMM36,POPC (1),303.0,40.0,0.6853,,,
689,Lipid17,CHOL:POPC (1:8),298.15,50.0,0.6837,,,
433,CHARMM36,POPC (1),303.0,40.0,0.6821,,,
90,CHARMM36 noNBFIX,POPC (1),303.0,45.0,0.6738,,,
541,CHARMM36,POPC (1),303.0,31.6,0.6709,,,
301,CHARMM36,POPC (1),303.0,40.0,0.6697,,,
697,Slipids,CHOL:POPC (1:8),298.15,50.0,0.6687,,,
41,Berger-DPPC-98,DPPC (1),323.0,40.0,0.6449,0.0105,0.0,0.0105
501,Berger,DMPC (1),323.0,39.8,0.6407,,,
563,CHARMM36,POPC (1),303.15,40.0,0.6362,,,
695,MacRog,CHOL:POPC (1:8),298.15,50.0,0.6244,,,
144,"CHARMM36 (center of mass removed independently for upper leaflet, lower leaflet and water+ions)",POPC (1),303.0,31.1,0.6184,,,
708,Slipids,POPC (1),298.15,50.0,0.581,0.5997,0.6177,0.5637
463,Slipids,DPPC (1),323.0,30.0,0.5802,0.6369,0.0,0.6369
910,CHARMM36,DMPC (1),303.15,34.0,0.571,0.1556,0.0791,0.1532
681,Slipids,CHOL:POPC (1:8),298.15,50.0,0.5617,,,
612,CHARMM36,POPC (1),303.0,40.0,0.5568,,,
573,ECC-lipids,POPC (1),300.0,50.0,0.5511,0.5506,0.4977,0.6565
660,MacRog,CHOL:POPC (1:8),298.15,50.0,0.5363,,,
367,CHARMM36-UA,POPS (1),298.0,35.0,0.5294,0.1272,0.0784,0.2248
672,Slipids,CHOL:POPC (1:8),298.15,50.0,0.5226,,,
430,CHARMM36,POPE (1),310.0,40.0,0.4993,0.3369,0.236,0.5386
47,CHARMM36,DOPC (1),303.15,50.0,0.4967,0.6186,0.607,0.6416
674,MacRog,POPC (1),298.15,50.0,0.493,0.665,0.6968,0.6013
551,CHARMM36,DOPC (1),303.15,50.0,0.4823,0.5898,0.5656,0.6381
457,MacRog,POPC (1),300.0,40.0,0.4673,0.6676,0.6858,0.6312
316,CHARMM36,DOPC (1),303.15,50.0,0.4512,0.5558,0.5112,0.6449
87,CHARMM36,DPPC (1),325.0,40.0,0.4412,,,
63,MacRog,POPC (1),298.0,50.0,0.4335,0.5974,0.5853,0.6216
675,MacRog,POPC (1),298.15,50.0,0.4311,0.659,0.6605,0.6558
702,MacRog,CHOL:POPC (1:4),298.15,50.0,0.4304,,,
533,CHARMM36,POPC (1),303.0,31.1,0.4256,,,
915,CHARMM36/LJ-PME,DLPC (1),293.0,43.1,0.4148,,,
390,GAFFlipid,DPPC (1),323.0,30.5,0.3819,0.5881,0.0,0.5881
658,MacRog,POPC (1),298.15,50.0,0.3818,0.6963,0.707,0.6749
319,CHARMM36,DPPC (1),323.0,30.4,0.3746,0.5944,0.0,0.5944
664,Slipids,POPC (1),298.15,50.0,0.3707,0.5565,0.5601,0.5492
171,"CHARMM36 (center of mass removed independently for upper leaflet, lower leaflet and water+ions)",DPPC (1),325.0,40.0,0.368,,,
199,"CHARMM36 (center of mass removed independently for upper leaflet, lower leaflet and water+ions)",DPPC (1),325.0,30.4,0.3635,,,
512,CHARMM36,POPC (1),313.0,45.0,0.3542,,,
472,OPLSAA-compatible Berger-DPPC-06,DPPC (1),323.0,40.0,0.3529,0.0137,0.0,0.0137
195,Lipid17,POPE (1),310.0,50.0,0.3519,0.1568,0.1926,0.085
438,CHARMM36,DPPC (1),325.0,40.0,0.346,,,
43,ECC-lipids,POPC (1),300.0,50.0,0.3325,0.4675,0.3767,0.649
916,CHARMM36/LJ-PME,DLPC (1),303.0,43.1,0.3285,,,
742,AMOEBA,DOPC (1),303.0,40.0,0.3199,0.5814,0.5726,0.5988
67,CHARMM36,POPE (1),310.0,50.0,0.3167,0.2142,0.0564,0.5297
422,Chiu Gromos,POPC (1),298.0,27.8,0.3149,0.1841,0.2395,0.0733
26,MacRog,POPS (1),298.0,35.0,0.3078,0.1021,0.0702,0.1659
151,Berger,POPC (1),303.0,40.4,0.3072,,,
830,C36_Slipids_Hybrid,POPC (1),298.0,50.0,0.3048,0.717,0.7447,0.6615
356,CHARMM36,DMPC (1),333.15,50.0,0.3005,,,
842,PROSECCO,POPS (1),298.0,40.0,0.2835,0.097,0.021,0.2491
42,CHARMM36,DMPC (1),333.15,50.0,0.2743,,,
30,Lipid14 with Verlet scheme,POPC (1),298.15,40.0,0.2666,0.3666,0.26,0.5799
5,CHARMM36,POPS (1),298.0,35.0,0.2602,0.1332,0.069,0.2618
911,CHARMM36,DPPC (1),322.0,41.1,0.2489,0.5992,0.0,0.5992
510,CHARMM36,DMPC (1),333.15,50.0,0.2402,,,
691,Slipids,CHOL:POPC (1:4),298.15,50.0,0.2347,,,
254,CHARMM36,DPPC (1),333.15,50.0,0.2253,0.1645,0.0,0.1645
292,MacRog,POPS (1),298.0,35.0,0.2221,0.1134,0.075,0.1902
913,CHARMM36/LJ-PME,DLPC (1),293.0,43.1,0.2175,,,
309,CHARMM36,DPPC (1),333.15,50.0,0.216,0.162,0.0,0.162
831,C36_Slipids_Hybrid,POPC (1),298.0,50.0,0.2142,0.6389,0.6286,0.6595
790,Charmm36,POPE (1),310.0,40.0,0.2055,0.1891,0.0974,0.3724
687,Slipids,CHOL:POPC (1:4),298.15,50.0,0.2024,,,
914,CHARMM36/LJ-PME,DLPC (1),303.0,43.1,0.1916,,,
27,CHARMM36,DPPC (1),333.15,50.0,0.1766,0.1136,0.0,0.1136
299,Berger and Modified Höltje model for cholesterol,CHOL:POPC (1:1),298.0,80.6,0.1698,0.1702,0.1953,0.0083
305,Berger and Modified Höltje model for cholesterol,CHOL:POPC (1:15),298.0,57.0,0.1603,0.3775,0.5603,0.0118
797,OpenFF,POPC (1),300.0,40.0,0.1238,0.5887,0.5704,0.6252
882,OPLS-aa,POPE (1),310.0,40.0,0.123,0.065,0.0753,0.0445
483,Lipid17 and Dang ions,POPS (1),298.0,50.0,0.119,0.042,0.0231,0.0799
-1,CHARMM36/LJ-PME,DLPC (1),333.0,43.1,0.1067,,,
115,Berger,POPC (1),300.0,40.4,0.1027,0.4446,0.6645,0.0048
894,CHARMM36m,SDPC (1),303.15,46.0,0.101,0.7665,0.7665,0.0
899,CHARMM36m,SDPC (1),303.15,48.0,0.1003,0.7592,0.7592,0.0
900,CHARMM36m,SDPC (1),303.15,48.0,0.0984,0.7619,0.7619,0.0
106,CHARMM36,POPS (1),298.0,35.0,0.0911,0.0849,0.0389,0.177
901,CHARMM36m,SDPC (1),303.15,46.0,0.0886,0.7577,0.7577,0.0
480,Berger,POPS (1),298.0,35.0,0.0827,0.0527,0.0251,0.1078
918,CHARMM36/LJ-PME,DLPC (1),323.0,43.1,0.0823,,,
692,Slipids,CHOL:POPC (1:4),298.15,50.0,0.0748,,,
497,Berger,POPC (1),298.0,57.0,0.0717,0.4474,0.6641,0.0138
502,Berger,POPS (1),298.0,35.0,0.0695,0.0593,0.0246,0.1288
919,CHARMM36/LJ-PME,DLPC (1),333.0,43.1,0.0667,,,
917,CHARMM36/LJ-PME,DLPC (1),323.0,43.1,0.0662,,,
701,CHARMM36,POPC (1),298.15,50.0,0.0604,0.4213,0.2892,0.6856
426,CHARMM36,CHOL:POPC (1:8),298.15,50.0,0.0511,,,
164,CHARMM36,POPC (1),300.0,44.4,0.0484,0.4177,0.2896,0.6738
558,CHARMM36,POPC (1),300.0,38.2,0.0455,0.423,0.2948,0.6795
119,CHARMM36,CHOL:POPC (1:8),298.15,50.0,0.045,,,
710,CHARMM36,POPC (1),298.15,50.0,0.0388,0.4017,0.2696,0.6659
202,GROMOS-CKP,POPC (1),298.0,50.0,0.0367,0.1282,0.1742,0.0362
109,CHARMM36,CHOL:POPC (1:8),298.15,50.0,0.0337,,,
837,FF-development,POPC (1),300.0,40.0,0.0324,0.5638,0.5676,0.5561
673,Lipid17,CHOL:POPC (5:8),298.15,50.0,0.0189,,,
694,Lipid17,CHOL:POPC (5:8),298.15,50.0,0.0179,,,
678,CHARMM36,POPC (1),298.15,50.0,0.016,0.3912,0.2693,0.6351
903,CHARMM36m,PDPC (1),303.15,45.0,0.0147,,,
670,Slipids,CHOL:POPC (5:8),298.15,50.0,0.0147,,,
820,CHARMM36,SOPC (1),303.15,50.0,0.0138,,,
668,Slipids,CHOL:POPC (5:8),298.15,50.0,0.0131,,,
902,CHARMM36m,PDPC (1),303.15,45.0,0.0122,,,
688,Lipid17,CHOL:POPC (5:8),298.15,50.0,0.009,,,
829,Sage 2.2.1,POPC (1),300.0,40.0,0.0089,0.5107,0.7091,0.114
546,CHARMM36,POPC (1),298.15,50.0,0.0085,0.3669,0.2666,0.5675
661,Slipids,CHOL:POPC (5:8),298.15,50.0,0.0078,,,
730,AMOEBA,POPE (1),310.0,40.0,0.0069,0.1774,0.1632,0.2059
88,CHARMM36,CHOL:POPC (1:4),298.15,50.0,0.0036,,,
833,FF-development,POPC (1),300.0,40.0,0.0029,0.2948,0.1773,0.5299
761,OpenFF,POPC (1),300.0,39.1,0.0019,0.568,0.5584,0.5872
679,MacRog,CHOL:POPC (5:8),298.15,50.0,0.0015,,,
72,CHARMM36,CHOL:POPC (1:4),298.15,50.0,0.0014,,,
82,slipids,CHOL:POPC (1:1),298.0,39.7,0.0014,0.4174,0.3907,0.1765
550,CHARMM36,CHOL:POPC (5:8),298.15,50.0,0.0007,,,
832,FF-development,POPC (1),300.0,40.0,0.0007,0.2767,0.1768,0.4766
716,MacRog,CHOL:POPC (5:8),298.15,50.0,0.0007,,,
525,CHARMM36,CHOL:POPC (1:4),298.15,50.0,0.0006,,,
275,CHARMM36,CHOL:POPC (5:8),298.15,50.0,0.0004,,,
703,Slipids,CHOL:POPC (7:8),298.15,50.0,0.0003,0.3257,0.2892,0.1583
712,Slipids,CHOL:POPC (7:8),298.15,50.0,0.0003,0.36,0.3283,0.1671
698,MacRog,CHOL:POPC (5:8),298.15,50.0,0.0003,,,
682,Slipids,CHOL:POPC (7:8),298.15,50.0,0.0003,0.3653,0.334,0.1681
620,CHARMM36,CHOL:POPC (5:8),298.15,50.0,0.0003,,,
792,OpenFF,POPC (1),300.0,39.1,0.0002,0.5635,0.5485,0.5935
836,FF-development,POPC (1),300.0,40.0,0.0001,0.3347,0.4433,0.1176
704,MacRog,CHOL:POPC (7:8),298.15,50.0,0.0001,0.218,0.1541,0.175
166,CHARMM36,CHOL:POPC (7:8),298.15,50.0,0.0,0.3354,0.2842,0.184
834,Sage2.2.0 Espaloma Charges,POPC (1),300.0,40.0,0.0,0.3115,0.1992,0.5361
765,Charmm36,SM16 (1),328.15,45.0,0.0,0.3412,0.3412,0.0
714,Lipid17,CHOL:POPC (7:8),298.15,50.0,0.0,0.4714,0.4903,0.1653
699,MacRog,CHOL:POPC (7:8),298.15,50.0,0.0,0.2997,0.2274,0.1863
828,Sage 2.2.1,POPC (1),300.0,40.0,0.0,0.3899,0.3101,0.5495
543,CHARMM36,CHOL:POPC (7:8),298.15,50.0,0.0,0.3336,0.2788,0.1866
835,FF-development,POPC (1),300.0,40.0,0.0,0.1023,0.0058,0.2953
707,Lipid17,CHOL:POPC (7:8),298.15,50.0,0.0,0.4431,0.4592,0.1541
717,Lipid17,CHOL:POPC (7:8),298.15,50.0,0.0,0.4908,0.515,0.1699
91,CHARMM36,CHOL:POPC (7:8),298.15,50.0,0.0,0.3211,0.2694,0.1776
731,Charmm-Drude,POPE (1),310.0,35.0,0.0,0.2249,0.3077,0.0593
671,MacRog,CHOL:POPC (7:8),298.15,50.0,0.0,0.3119,0.2321,0.196
838,Parsley 1.3.1,POPC (1),300.0,40.0,0.0,0.183,0.0182,0.5127