* General Amber Force Field (GAFF) Parameter File generated by * Antechamber package ATOMS MASS 101 o00 16.000000 MASS 102 c00 12.010000 MASS 103 n00 14.010000 MASS 104 z00 12.010000 MASS 105 nh00 14.010000 MASS 106 ca00 12.010000 MASS 107 nb00 14.010000 MASS 109 c300 12.010000 MASS 110 hn00 1.008000 MASS 111 h100 1.008000 MASS 113 os00 16.000000 MASS 114 h400 1.008000 MASS 115 cp00 12.010000 BOND ca00 ca00 461.10 1.398 ca00 nb00 488.00 1.339 ca00 nh00 417.90 1.386 c00 ca00 345.90 1.491 ca00 cp00 450.20 1.406 cp00 cp00 351.40 1.485 cp00 nb00 488.50 1.339 c300 os00 308.60 1.432 ca00 os00 376.60 1.370 c00 o00 637.70 1.218 c300 h100 330.60 1.097 ca00 h400 341.50 1.089 hn00 nh00 404.60 1.012 c00 n00 427.60 1.379 n00 cz00 400.10 1.399 ! same as c2 n hn00 n00 403.20 1.013 cz00 nh00 488.00 1.339 ANGLE ca00 ca00 nb00 68.800 122.940 ca00 ca00 c00 64.300 120.330 ca00 nb00 ca00 68.300 117.220 ca00 nh00 hn00 48.400 116.070 ca00 ca00 nh00 68.300 120.950 ca00 nb00 cp00 68.100 118.050 ca00 c00 o00 68.700 122.600 ca00 c00 n00 67.700 115.250 cp00 ca00 nh00 67.900 121.560 cp00 ca00 nb00 68.500 123.580 cp00 cp00 ca00 64.000 121.110 os00 c300 h100 50.800 109.780 os00 ca00 nb00 72.700 119.720 ca00 cp00 nb00 69.000 121.620 o00 c00 n00 74.200 123.050 c300 os00 ca00 62.500 117.960 nb00 ca00 nb00 70.900 127.260 nb00 ca00 h400 51.900 116.030 ca00 cp00 ca00 66.700 118.380 cp00 cp00 nb00 68.200 116.610 cp00 ca00 h400 47.900 120.090 nb00 ca00 c00 67.700 117.780 nh00 ca00 nb00 72.700 116.940 c00 n00 cz00 64.500 122.150 ! same as c n c2 c00 n00 hn00 48.300 117.550 n00 cz00 nh00 73.500 109.350 ! same as n c2 nh00 n00 cz00 nh00 73.500 109.350 cz00 n00 hn00 47.600 117.900 ! same as c2 n hn00 cz00 nh00 hn00 48.800 121.150 nh00 cz00 nh00 73.000 120.140 h100 c300 h100 39.200 108.460 hn00 nh00 hn00 40.100 115.120 DIHEDRAL X ca00 ca00 X 3.625 2 180.0 X ca00 nb00 X 4.800 2 180.0 X ca00 nh00 X 1.050 2 180.0 X c00 ca00 X 1.000 2 180.0 X ca00 cp00 X 3.625 2 180.0 X cp00 cp00 X 1.000 2 180.0 ca00 cp00 nb00 ca00 4.800 2 180.0 ! same as X ca00 nb0000 X cp00 cp00 nb00 ca00 4.800 2 180.0 ! same as ca00 cp00 nb0000 ca00 X c300 os00 X 0.383 3 0.0 X ca00 os00 X 0.900 2 180.0 X c00 n00 X 2.500 2 180.0 hn00 n00 c00 o00 2.500 2 180.0 hn00 n00 c00 o00 2.000 1 0.0 c00 n00 cz00 nh00 0.650 2 180.0 ! same as X c2 n X hn00 n00 cz00 nh00 0.650 2 180.0 ! same as X c2 n X n00 cz00 nh00 hn00 0.675 2 180.0 ! same as X c2 nh00 X nh00 cz00 nh00 hn00 0.675 2 180.0 ! same as X c2 nh00 X IMPHI ca00 nb00 ca00 nh00 1.100 2 180.0 ! Using default value c00 ca00 ca00 nb00 1.100 2 180.0 ! Using default value ca00 cp00 cp00 nb00 1.100 2 180.0 ! Using default value cp00 nb00 ca00 nh00 1.100 2 180.0 ! Using default value nb00 nb00 ca00 os00 1.100 2 180.0 ! Using default value cp00 h400 ca00 nb00 1.100 2 180.0 ! Using default value ca00 ca00 cp00 cp00 1.100 2 180.0 ! Using default value ca00 hn00 nh00 hn00 1.100 2 180.0 ! Using default value X X c00 o00 10.500 2 180.0 X X n00 hn00 1.100 2 180.0 n00 nh00 cz00 nh00 1.100 2 180.0 ! Using default value cz00 hn00 nh00 hn00 1.100 2 180.0 ! Using default value NONBONDED NBXMOD 5 GROUP SWITCH CDIEL - CUTNB 14.0 CTOFNB 12.0 CTONNB 10.0 EPS 1.0 E14FAC 0.83333333 WMIN 1.4 ! Emin Rmin/2 Emin/2 Rmin (for 1-4's) ! (kca00l/mol) (A) ca00 0.00 -0.0860 1.9080 0.00 -0.0430 1.9080 cp00 0.00 -0.0860 1.9080 0.00 -0.0430 1.9080 os00 0.00 -0.1700 1.6837 0.00 -0.0850 1.6837 o00 0.00 -0.2100 1.6612 0.00 -0.1050 1.6612 c300 0.00 -0.1094 1.9080 0.00 -0.0547 1.9080 nb00 0.00 -0.1700 1.8240 0.00 -0.0850 1.8240 nh00 0.00 -0.1700 1.8240 0.00 -0.0850 1.8240 c00 0.00 -0.0860 1.9080 0.00 -0.0430 1.9080 n00 0.00 -0.1700 1.8240 0.00 -0.0850 1.8240 cz00 0.00 -0.0860 1.9080 0.00 -0.0430 1.9080 h100 0.00 -0.0157 1.3870 0.00 -0.0078 1.3870 h400 0.00 -0.0150 1.4090 0.00 -0.0075 1.4090 hn00 0.00 -0.0157 0.6000 0.00 -0.0078 0.6000