* PRM File generated from CGenFF STR * ATOMS MASS -1 NG2S3 14.00700 ! CGENFF_PRM MASS -1 CG2R61 12.01100 ! CGENFF_PRM MASS -1 CG2RC0 12.01100 ! CGENFF_PRM MASS -1 NG2R50 14.00700 ! CGENFF_PRM MASS -1 CG2R53 12.01100 ! CGENFF_PRM MASS -1 NG2R51 14.00700 ! CGENFF_PRM MASS -1 HGP4 1.00800 ! CGENFF_PRM MASS -1 HGR61 1.00800 ! CGENFF_PRM MASS -1 HGR52 1.00800 ! CGENFF_PRM BONDS CG2R53 NG2R50 400.000 1.3200 ! CGENFF_PRM CG2R53 NG2R51 320.000 1.3740 ! CGENFF_PRM CG2R53 HGR52 340.000 1.0900 ! CGENFF_PRM CG2R61 CG2R61 305.000 1.3750 ! CGENFF_PRM CG2R61 CG2RC0 300.000 1.3600 ! CGENFF_PRM CG2R61 NG2R51 400.000 1.4200 ! CGENFF_PRM CG2R61 NG2S3 400.000 1.3900 ! CGENFF_PRM CG2R61 HGR61 340.000 1.0800 ! CGENFF_PRM CG2RC0 CG2RC0 360.000 1.3850 ! CGENFF_PRM CG2RC0 NG2R50 310.000 1.3650 ! CGENFF_PRM CG2RC0 NG2R51 300.000 1.3750 ! CGENFF_PRM NG2S3 HGP4 488.000 1.0000 ! CGENFF_PRM ANGLES NG2R50 CG2R53 NG2R51 100.000 113.0000 ! CGENFF_PRM NG2R50 CG2R53 HGR52 39.000 124.8000 ! CGENFF_PRM NG2R51 CG2R53 HGR52 40.000 122.2000 ! CGENFF_PRM CG2R61 CG2R61 CG2R61 40.000 120.0000 35.000 2.4162 ! CGENFF_PRM CG2R61 CG2R61 CG2RC0 50.000 120.0000 ! CGENFF_PRM CG2R61 CG2R61 NG2R51 60.000 121.0000 ! CGENFF_PRM CG2R61 CG2R61 NG2S3 60.000 121.0000 ! CGENFF_PRM CG2R61 CG2R61 HGR61 30.000 120.0000 22.000 2.1525 ! CGENFF_PRM CG2RC0 CG2R61 HGR61 30.000 120.0000 22.000 2.1460 ! CGENFF_PRM CG2R61 CG2RC0 CG2RC0 50.000 120.0000 ! CGENFF_PRM CG2R61 CG2RC0 NG2R50 130.000 130.0000 ! CGENFF_PRM CG2R61 CG2RC0 NG2R51 130.000 132.6000 ! CGENFF_PRM CG2RC0 CG2RC0 NG2R50 100.000 110.0000 ! CGENFF_PRM CG2RC0 CG2RC0 NG2R51 100.000 105.7000 ! CGENFF_PRM CG2R53 NG2R50 CG2RC0 120.000 103.8000 ! CGENFF_PRM CG2R53 NG2R51 CG2R61 40.000 127.0000 ! PENALTY= 2.5 CG2R53 NG2R51 CG2RC0 100.000 107.2000 ! CGENFF_PRM CG2R61 NG2R51 CG2RC0 40.000 127.0000 ! PENALTY= 1.0 CG2R61 NG2S3 HGP4 60.000 111.6000 ! CGENFF_PRM HGP4 NG2S3 HGP4 31.000 117.0000 ! CGENFF_PRM DIHEDRALS NG2R51 CG2R53 NG2R50 CG2RC0 14.0000 2 180.00 ! CGENFF_PRM HGR52 CG2R53 NG2R50 CG2RC0 5.2000 2 180.00 ! CGENFF_PRM NG2R50 CG2R53 NG2R51 CG2R61 6.0000 2 180.00 ! PENALTY= 47.5 NG2R50 CG2R53 NG2R51 CG2RC0 6.0000 2 180.00 ! CGENFF_PRM HGR52 CG2R53 NG2R51 CG2R61 0.0000 2 180.00 ! PENALTY= 32.0 HGR52 CG2R53 NG2R51 CG2RC0 5.6000 2 180.00 ! CGENFF_PRM CG2R61 CG2R61 CG2R61 CG2R61 3.1000 2 180.00 ! CGENFF_PRM CG2R61 CG2R61 CG2R61 CG2RC0 3.0000 2 180.00 ! CGENFF_PRM CG2R61 CG2R61 CG2R61 NG2R51 5.0000 2 180.00 ! CGENFF_PRM CG2R61 CG2R61 CG2R61 NG2S3 5.0000 2 180.00 ! CGENFF_PRM CG2R61 CG2R61 CG2R61 HGR61 4.2000 2 180.00 ! CGENFF_PRM CG2RC0 CG2R61 CG2R61 NG2S3 5.0000 2 180.00 ! PENALTY= 1.5 CG2RC0 CG2R61 CG2R61 HGR61 3.0000 2 180.00 ! CGENFF_PRM NG2R51 CG2R61 CG2R61 HGR61 2.4000 2 180.00 ! CGENFF_PRM NG2S3 CG2R61 CG2R61 HGR61 2.4000 2 180.00 ! CGENFF_PRM HGR61 CG2R61 CG2R61 HGR61 2.4000 2 180.00 ! CGENFF_PRM CG2R61 CG2R61 CG2RC0 CG2RC0 3.0000 2 180.00 ! CGENFF_PRM CG2R61 CG2R61 CG2RC0 NG2R50 1.5000 2 180.00 ! CGENFF_PRM CG2R61 CG2R61 CG2RC0 NG2R51 3.0000 2 180.00 ! CGENFF_PRM HGR61 CG2R61 CG2RC0 CG2RC0 3.0000 2 180.00 ! CGENFF_PRM HGR61 CG2R61 CG2RC0 NG2R50 0.8000 2 180.00 ! CGENFF_PRM HGR61 CG2R61 CG2RC0 NG2R51 3.0000 2 180.00 ! CGENFF_PRM CG2R61 CG2R61 NG2R51 CG2R53 0.2000 1 0.00 ! PENALTY= 2.5 CG2R61 CG2R61 NG2R51 CG2R53 1.1000 2 180.00 ! PENALTY= 2.5 CG2R61 CG2R61 NG2R51 CG2R53 0.6000 3 0.00 ! PENALTY= 2.5 CG2R61 CG2R61 NG2R51 CG2RC0 0.2000 1 0.00 ! PENALTY= 1.0 CG2R61 CG2R61 NG2R51 CG2RC0 1.1000 2 180.00 ! PENALTY= 1.0 CG2R61 CG2R61 NG2R51 CG2RC0 0.6000 3 0.00 ! PENALTY= 1.0 CG2R61 CG2R61 NG2S3 HGP4 1.3500 2 180.00 ! CGENFF_PRM CG2R61 CG2RC0 CG2RC0 CG2R61 3.0000 2 180.00 ! CGENFF_PRM CG2R61 CG2RC0 CG2RC0 NG2R50 1.5000 2 180.00 ! CGENFF_PRM CG2R61 CG2RC0 CG2RC0 NG2R51 1.5000 2 180.00 ! CGENFF_PRM NG2R50 CG2RC0 CG2RC0 NG2R51 10.0000 2 180.00 ! CGENFF_PRM CG2R61 CG2RC0 NG2R50 CG2R53 15.0000 2 180.00 ! CGENFF_PRM CG2RC0 CG2RC0 NG2R50 CG2R53 6.0000 2 180.00 ! CGENFF_PRM CG2R61 CG2RC0 NG2R51 CG2R53 19.0000 2 180.00 ! CGENFF_PRM CG2R61 CG2RC0 NG2R51 CG2R61 0.5000 2 180.00 ! PENALTY= 47.5 CG2RC0 CG2RC0 NG2R51 CG2R53 6.0000 2 180.00 ! CGENFF_PRM CG2RC0 CG2RC0 NG2R51 CG2R61 1.5000 2 180.00 ! PENALTY= 49.0 IMPROPERS NG2S3 HGP4 HGP4 CG2R61 -2.5000 0 0.00 ! CGENFF_PRM NONBONDED nbxmod 5 atom cdiel fshift vatom vdistance vfswitch - cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 NG2S3 0.0 -0.2000 1.8500 ! CGENFF_PRM CG2R61 0.0 -0.0700 1.9924 ! CGENFF_PRM CG2RC0 0.0 -0.0990 1.8600 ! CGENFF_PRM NG2R50 0.0 -0.2000 1.8500 ! CGENFF_PRM CG2R53 0.0 -0.0200 2.2000 ! CGENFF_PRM NG2R51 0.0 -0.2000 1.8500 ! CGENFF_PRM HGP4 0.0 -0.0460 0.2245 ! CGENFF_PRM HGR61 0.0 -0.0300 1.3582 ! CGENFF_PRM HGR52 0.0 -0.0460 0.9000 ! CGENFF_PRM NBFIX HBOND CUTHB 0.5 END