# Zn parameters in AMBER forcefield for NDM-1 from Ryde 1995 and Dr. Walker's thesis

MASS
ZN 65.4
CL 35.45

BOND
NB-ZN 85.500 2.101 
ZN-OW 48.700 2.309
ZN-O2 45.100 2.359   #Ryde 1995
ZN-OH 58.050 2.279  #Ryde 1995
ZN-O 45.100 2.359
ZN-SH 81.700 2.293

ANGLE
ZN-NB-CC 44.500 123.600
ZN-NB-CR 44.500 123.600
ZN-NB-CV 44.500 123.600
NB-ZN-NB 16.100 97.900
NB-ZN-OW 16.100 97.900
O2-ZN-OW 8.910	173.900
O -ZN-OH 8.910	173.900
OH-ZN-OH 8.910	173.900
O2-ZN-SH 49.500	146.500
C -O2-ZN 19.900 131.200
ZN-O -C	 19.900 131.200	
ZN-OH-C  28.640	133.400
ZN-OW-ZN 17.540	119.000
C -N -C	 50.000	121.900
OW-ZN-SH 31.000 104.400
N -C -N  70.000	115.40
CT-SH-ZN 18.900 111.600

DIHE
X-ZN-NB-X 2 0.000 -2.82 
X-ZN-SH-X 3 0.000 -0.03
X-ZN-O -X 3 0.000 -0.77
X-ZN-OW-X 3 0.000 -0.77
X-ZN-O2-X 3 0.000 -0.77
X-ZN-OH-X 3 0.000 -0.77
X-C -O2-X 2 0.000 -1.81

NONBON
ZN 1.70  0.67 #van der Waals from Stote and  Karplus 1995 (sigma, epsilon)
CL 1.948 0.265
