# modifications to force field for poplar plastocyanin MASS CU 65.36 BOND NB-CU 70.000 2.05000 #kludge by JRS CU-S 70.000 2.10000 #kludge by JRS CU-SH 70.000 2.90000 #for pcy CT-SH 222.000 1.81000 #met(aa) ANGLE CU-NB-CV 50.000 126.700 #JRS estimate CU-NB-CR 50.000 126.700 #JRS estimate CU-NB-CP 50.000 126.700 #JRS estimate CU-NB-CC 50.000 126.700 #JRS estimate CU-SH-CT 50.000 120.000 #JRS estimate CU-S -CT 50.000 120.000 #JRS estimate CU-S -C2 50.000 120.000 #JRS estimate CU-S -C3 50.000 120.000 #JRS estimate NB-CU-NB 10.000 110.000 #dac estimate NB-CU-SH 10.000 110.000 #dac estimate NB-CU-S 10.000 110.000 #dac estimate SH-CU-S 10.000 110.000 #dac estimate CU-SH-CT 50.000 120.000 #JRS estimate CT-CT-SH 50.000 114.700 #met(aa) HC-CT-SH 35.000 109.500 H1-CT-SH 35.000 109.500 CT-SH-CT 62.000 98.900 #MET(OL) DIHE X -NB-CU-X 1 0.000 180.000 3.000 X -CU-SH-X 1 0.000 180.000 3.000 X -CU-S -X 1 0.000 180.000 3.000 X -CT-SH-X 3 1.000 0.000 3.000 NONBON CU 2.20 0.200