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[交流] 【求助】在Gaussian中使用Amber 力场方法

G09中有一个例子，输入文件如下：
#p amber opt=tight freq test

Gaussian Test 423:
Butane AMBER

0,1
C-CT--0.25    .010720 -.000147    .019982
C-CT--0.25    -.003671 -.001108 1.552136
C-CT--0.25    1.429829 -.000496 2.094942
C-CT--0.25    1.415438 -.001458 3.627096
H-HC-0.1 -1.012976 -.000591 -.356686
H-HC-0.1    .523857 -.888970 -.350136
H-HC-0.1    .522678    .889814 -.349030
H-HC-0.1    -.531884 -.889107 1.907177
H-HC-0.1    -.533060    .885747 1.908280
H-HC-0.1    1.958042    .887502 1.739901
H-HC-0.1    1.959218 -.887352 1.738798
H-HC-0.1    2.439134 -.001013 4.003764
H-HC-0.1    .903480 -.891419 3.996108
H-HC-0.1    .902301    .887365 3.997213

~
是可以算的

我自己的输入文件是：
p amber opt=tight freq test

Gau 13
Butane AMBER

0,1
C-CA--0.211             0.00000000 0.00000000 0.00000000
C-CA--0.152             1.38934867 0.00000000 0.00000000
C-CA--0.152             1.82651370 1.38040168 0.00000000
C-CA--0.211             0.69251527 2.18313448 0.00000000
N-N-0.036          -0.44665737 1.34266607 -0.00008754
H-H4-0.176          -0.72132980 -0.81864167 -0.00005438
H-HA-0.153          2.04098420 -0.86874066 -0.00000876
H-HA-0.153          2.85946674 1.71631483 -0.00000000
H-H4-0.176          0.58902791 3.26765815 -0.00013158
O-O--0.460          -2.74135254 1.04572221 0.00149418
C-C-0.5092          -1.77745443 1.76471613 0.00084721
H-H2--0.019          -1.84262515 2.84577214 0.00105460

~
没法算，高斯提示错误：
Generating MM parameters.
Include all MM classes
Bondstretch undefined between atoms    1    5 CA-N
Bondstretch undefined between atoms    4    5 CA-N
Bondstretch undefined between atoms    11    12 C-H2
Angle bend  undefined between atoms    1    5    4 CA-N-CA
Angle bend  undefined between atoms    1    5    11 CA-N-C
Angle bend  undefined between atoms    2    1    5 CA-CA-N
Angle bend  undefined between atoms    3    4    5 CA-CA-N
Angle bend  undefined between atoms    4    5    11 CA-N-C
Angle bend  undefined between atoms    5    1    6 N-CA-H4
Angle bend  undefined between atoms    5    4    9 N-CA-H4
Angle bend  undefined between atoms    5    11    12 N-C-H2
Angle bend  undefined between atoms    10    11    12 O-C-H2
MM function not complete
请大家指教以下是为什么，我快崩溃了都

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