#  modifications to force field for poplar plastocyanin  

MASS
SM 32.06
CU 65.36

BOND 
NB-CU  70.000   2.05000 #kludge by JRS    
CU-S  70.000   2.10000 #kludge by JRS    
CU-SM  70.000   2.90000 #for pcy    
CT-SM 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-SM-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-SM   10.000     110.000  #dac estimate    
NB-CU-S    10.000     110.000  #dac estimate   
SM-CU-S    10.000     110.000  #dac estimate  
CU-SM-CT   50.000     120.000  #JRS estimate 
CT-CT-SM   50.000     114.700    #met(aa)  
HC-CT-SM   35.000     109.500   
H1-CT-SM   35.000     109.500  
CT-SM-CT   62.000     98.900  #MET(OL)  

DIHE 
X -NB-CU-X    1       0.000 180.000       3.000    
X -CU-SM-X    1       0.000 180.000       3.000   
X -CU-S -X    1       0.000 180.000       3.000   
X -CT-SM-X    3       1.000   0.000       3.000   

NONBON 
CU    2.20      0.200   
SM    2.00      0.200