FRCMOD file generated by R.E.D. python 13 - q4md-forcefieldtools.org
MASS      mass              pol            Source
C         12.010            0.616          taken from parm99.dat
CM        12.010            0.360          taken from parm99.dat
CT        12.010            0.878          taken from parm99.dat
H          1.008            0.161          taken from parm99.dat
H1         1.008            0.135          taken from parm99.dat
HA         1.008            0.167          taken from parm99.dat
HC         1.008            0.135          taken from parm99.dat
HP         1.008            0.135          taken from parm99.dat
N         14.010            0.530          taken from parm99.dat
N3        14.010            0.530          taken from parm99.dat
O         16.000            0.434          taken from parm99.dat
O2        16.000            0.434          taken from parm99.dat
OS        16.000            0.465          taken from parm99.dat

BOND   K(kcal.mol-1.ang-2)  Dist0(ang)     Source
C -CM     410.0             1.444          taken from parm99.dat
C -CT     315.0             1.522          adapted from parm99.dat 317.0
C -N      490.0             1.335          taken from parm99.dat
C -O      570.0             1.229          taken from parm99.dat
C -O2     655.0             1.250          adapted from parm99.dat 656.0
CM-CM     550.0             1.350          adapted from parm99.dat 549.0
CM-CT     315.0             1.510          adapted from parm99.dat 317.0
CM-HA     365.0             1.080          adapted from parm99.dat 367.0
CT-CT     310.0             1.526          taken from parm99.dat
CT-H1     340.0             1.090          taken from parm99.dat
CT-HC     340.0             1.090          taken from parm99.dat
CT-HP     340.0             1.090          taken from parm99.dat
CT-N      335.0             1.449          adapted from parm99.dat 337.0
CT-N3     365.0             1.471          adapted from parm99.dat 367.0
CT-OS     320.0             1.410          taken from parm99.dat
H -N      435.0             1.010          adapted from parm99.dat 434.0
H -N3     435.0             1.010          adapted from parm99.dat 434.0

ANGLE  K(kcal.mol-1.ang-2)  Theta0(deg)    Source
CT-C -N        70.0         116.60         taken from parm99.dat
CT-C -O        80.0         120.40         taken from parm99.dat
N -C -O        80.0         122.90         taken from parm99.dat
O2-C -O2       80.0         126.00         taken from parm99.dat
C -CM-CM       65.0         120.70         adapted from parm99.dat 63.0
C -CM-CT       70.0         119.70         taken from parm99.dat
CM-CM-CT       70.0         119.70         taken from parm99.dat
CM-CM-HA       50.0         119.70         taken from parm99.dat
CT-CM-HA       50.0         120.00         taken from parm99.dat
C -CT-HC       50.0         109.50         taken from parm99.dat
CM-CT-CT       65.0         111.00         adapted from parm99.dat 63.0
CM-CT-H1       50.0         109.50         taken from parm99.dat
CM-CT-HC       50.0         109.50         taken from parm99.dat
CM-CT-OS       50.0         109.50         taken from parm99.dat
CT-CT-CT       40.0         109.50         taken from parm99.dat
CT-CT-H1       50.0         109.50         taken from parm99.dat
CT-CT-HC       50.0         109.50         taken from parm99.dat
CT-CT-HP       50.0         109.50         taken from parm99.dat
CT-CT-N        80.0         109.70         taken from parm99.dat
CT-CT-N3       80.0         111.20         taken from parm99.dat
CT-CT-OS       50.0         109.50         taken from parm99.dat
H1-CT-N        50.0         109.50         taken from parm99.dat
H1-CT-OS       50.0         109.50         taken from parm99.dat
HC-CT-HC       35.0         109.50         taken from parm99.dat
HP-CT-N3       50.0         109.50         taken from parm99.dat
C -N -CT       50.0         121.90         taken from parm99.dat
C -N -H        50.0         120.00         taken from parm99.dat
CT-N -H        50.0         118.04         taken from parm99.dat
CT-N3-H        50.0         109.50         taken from parm99.dat
H -N3-H        35.0         109.50         taken from parm99.dat
CT-OS-CT       60.0         109.50         taken from parm99.dat

DIHEDRAL    Path V(kcal.mol-1.rad-1) Phase(deg.) Period Source
CT-C -N -CT   1    2.50000000e+00      180.0       2.   adapted from parm99.dat i.e X-C-N-X   10.0/4
CT-C -N -H    1    2.50000000e+00      180.0       2.   adapted from parm99.dat i.e X-C-N-X   10.0/4
CM-CM-C -O2   1    2.17500000e+00      180.0       2.   adapted from parm99.dat i.e X-C-CM-X   8.7/4
CT-CM-C -O2   1    2.17500000e+00      180.0       2.   adapted from parm99.dat i.e X-C-CM-X   8.7/4
C -CM-CM-CT   1    6.65000000e+00      180.0       2.   adapted from parm99.dat i.e X-CM-CM-X   26.6/4
C -CM-CM-HA   1    6.65000000e+00      180.0       2.   adapted from parm99.dat i.e X-CM-CM-X   26.6/4
CT-CM-CM-CT   1    6.65000000e+00      180.0       2.   adapted from parm99.dat i.e X-CM-CM-X   26.6/4
CT-CM-CM-HA   1    6.65000000e+00      180.0       2.   adapted from parm99.dat i.e X-CM-CM-X   26.6/4
C -CM-CT-CT   1    0.00000000e+00        0.0       3.   adapted from parm99.dat i.e X-CM-CT-X   0.0/6
C -CM-CT-HC   1    0.00000000e+00        0.0       3.   adapted from parm99.dat i.e X-CM-CT-X   0.0/6
CM-CM-CT-CT   1    0.00000000e+00        0.0       3.   adapted from parm99.dat i.e X-CM-CT-X   0.0/6
CM-CM-CT-H1   1    0.00000000e+00        0.0       3.   adapted from parm99.dat i.e X-CM-CT-X   0.0/6
CM-CM-CT-HC   1    0.00000000e+00        0.0       3.   adapted from parm99.dat i.e X-CM-CT-X   0.0/6
CM-CM-CT-OS   1    0.00000000e+00        0.0       3.   adapted from parm99.dat i.e X-CM-CT-X   0.0/6
HA-CM-CT-OS   1    0.00000000e+00        0.0       3.   adapted from parm99.dat i.e X-CM-CT-X   0.0/6
HC-CT-C -N    1    0.00000000e+00        0.0       2.   adapted from parm99.dat i.e X-C-CT-X   0.0/6
HC-CT-C -O    1    0.00000000e+00        0.0       2.   adapted from parm99.dat i.e X-C-CT-X   0.0/6
CT-CT-CM-HA   1    0.00000000e+00        0.0       3.   adapted from parm99.dat i.e X-CM-CT-X   0.0/6
H1-CT-CM-HA   1    0.00000000e+00        0.0       3.   adapted from parm99.dat i.e X-CM-CT-X   0.0/6
CM-CT-CT-CT   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
CM-CT-CT-H1   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
CM-CT-CT-HP   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
CM-CT-CT-N    1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
CM-CT-CT-N3   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
CT-CT-CT-CT   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
CT-CT-CT-H1   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
CT-CT-CT-HC   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
CT-CT-CT-HP   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
CT-CT-CT-N    1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
CT-CT-CT-N3   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
CT-CT-CT-OS   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
H1-CT-CT-H1   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
H1-CT-CT-HC   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
H1-CT-CT-HP   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
H1-CT-CT-N    1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
H1-CT-CT-N3   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
H1-CT-CT-OS   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
HC-CT-CT-HC   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
HC-CT-CT-HP   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
HC-CT-CT-N3   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
HC-CT-CT-OS   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
HP-CT-CT-N    1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
N -CT-CT-OS   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
N3-CT-CT-N    1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-CT-X   1.4/9
CT-CT-N -H    1    0.00000000e+00        0.0       2.   adapted from parm99.dat i.e X-CT-N-X   0.0/6
H1-CT-N -H    1    0.00000000e+00        0.0       2.   adapted from parm99.dat i.e X-CT-N-X   0.0/6
CT-CT-N3-H    1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-N3-X   1.4/9
CM-CT-OS-CT   1    3.83333333e-01        0.0       3.   adapted from parm99.dat i.e X-CT-OS-X   1.15/3
CT-CT-OS-CT   1    3.83333333e-01        0.0       3.   adapted from parm99.dat i.e X-CT-OS-X   1.15/3
CT-N -C -O    1    2.50000000e+00      180.0       2.   adapted from parm99.dat i.e X-C-N-X   10.0/4
H -N -C -O    1    2.50000000e+00      180.0       2.   adapted from parm99.dat i.e X-C-N-X   10.0/4
C -N -CT-CT   1    0.00000000e+00        0.0       2.   adapted from parm99.dat i.e X-CT-N-X   0.0/6
C -N -CT-H1   1    0.00000000e+00        0.0       2.   adapted from parm99.dat i.e X-CT-N-X   0.0/6
H -N3-CT-HP   1    1.55555556e-01        0.0       3.   adapted from parm99.dat i.e X-CT-N3-X   1.4/9
CT-OS-CT-H1   1    3.83333333e-01        0.0       3.   adapted from parm99.dat i.e X-CT-OS-X   1.15/3

IMPROPER         V(kcal.mol-1.rad-1) Phase(deg.) Period Source
CM-O2-C -O2        1.05000000e+01      180.0       2.   adapted from parm99.dat i.e X-O2-C-O2
CT-N -C -O         1.05000000e+01      180.0       2.   adapted from parm99.dat i.e X-X-C-O
C -CM-CM-CT        1.10000000e+00      180.0       2.   taken from parm99.dat
CM-CT-CM-HA        1.10000000e+00      180.0       2.   taken from parm99.dat
C -CT-N -H         1.10000000e+00      180.0       2.   taken from parm99.dat

NONBON     R*(ang)   Eps(kcal.mol-1)       Source
C          1.9080    0.08600000            taken from parm99.dat
CM         1.9080    0.08600000            taken from parm99.dat
CT         1.9080    0.10940000            taken from parm99.dat
H          0.6000    0.01570000            taken from parm99.dat
H1         1.3870    0.01570000            taken from parm99.dat
HA         1.4590    0.01500000            taken from parm99.dat
HC         1.4870    0.01570000            taken from parm99.dat
HP         1.1000    0.01570000            taken from parm99.dat
N          1.8240    0.17000000            taken from parm99.dat
N3         1.8240    0.17000000            taken from parm99.dat
O          1.6612    0.21000000            taken from parm99.dat
O2         1.6612    0.21000000            taken from parm99.dat
OS         1.6837    0.17000000            taken from parm99.dat

