# Mix of parameters from koll94 tm.ff and amino10.in for PPO MASS #Cu+2 63.550 #Omu2 16.000 nc 14.010 0.530 same as NC na 14.010 0.530 same as NA cd 12.010 0.360 same as CD ss 32.060 2.900 same as S c3 12.010 0.360 same as C* cc 12.010 0.360 same as CC h4 1.0080 0.167 same as H4 hn 1.0080 0.161 same as HZ BOND NB-Cu+2 2.100 300.000 na-Cu+2 2.100 300.000 Cu+2-Omu2 1.900 300.000 Omu2-Omu2 1.450 553.000 C-n2 1.335 490.000 c-N 1.335 490.000 ANGLE CV-NB-Cu+2 125.000 10.000 NB-Cu+2-na 109.500 0.010 NB-Cu+2-NB 109.500 0.010 NB-Cu+2-Omu2 109.500 0.010 CR-NB-Cu+2 127.000 10.000 O-C-n2 80.000 122.900 CX-C-n2 70.000 116.600 c-N-H 50.000 118.040 c-N-CX 70.000 116.600 O-C-n2 80.000 122.900 na-Cu+2-NB 109.500 0.010 na-Cu+2-Omu2 109.500 0.010 cc-na-Cu+2 127.000 10.000 c2-na-Cu+2 125.000 10.000 Cu+2 -Omu2 -Omu2 70.000 10.000 Cu+2 -Omu2 -Cu+2 138.000 10.000 Omu2 -Cu+2 -Omu2 109.500 0.010 DIHE na-Cu+2-Omu2-Omu2 0.000 0.000 0.000 na-Cu+2-Omu2-Cu+2 0.000 0.000 0.000 CV-NB-Cu+2-Omu2 0.000 0.000 0.000 NB-Cu+2-Omu2-Cu+2 0.000 0.000 0.000 NB-Cu+2-Omu2-Omu2 0.000 0.000 0.000 CR-NB-Cu+2-Omu2 0.000 0.000 0.000 Cu+2-Omu2-Omu2-Cu+2 0.000 0.000 0.000 Cu+2-Omu2-Cu+2-Omu2 0.000 0.000 0.000 nc-cd-ss-c3 2 2.200 180.000 2.000 same as X -c2-ss-X , penalty score=232.0 na-cd-ss-c3 2 2.200 180.000 2.000 same as X -c2-ss-X , penalty score=232.0 IMPROPER c3-cd-cc-nc 1.1 180.0 2.0 Using the default value cc-h4-cd-na 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term)) na-nc-cd-ss 1.1 180.0 2.0 Using the default value cd-cd-na-hn 1.1 180.0 2.0 Using the default value NONB Cu+2 1.600 0.1000 Omu2 1.661 0.2100