# CCL:G: error: Missing atomic parameters

• From: "Noor Afifah" <noorafifah]-[students.unnes.ac.id>
• Subject: CCL:G: error: Missing atomic parameters
• Date: Fri, 15 Sep 2017 19:42:18 -0400

``` Sent to CCL by: "Noor  Afifah" [noorafifah:+:students.unnes.ac.id]
Sent to CCL by: Noor Afifah [noorafifah!^!students.unnes.ac.id]
I have a question concerning the use of AMBER in Gaussian 09W. I am modeling a
gallium nitride nanotube. Gaussian runs fine when optimizing the use UFF and
dreiding but runs fail with use AMBER.
I believe it has something to do with missing parameters. Could anyone enlighten
me on this problem and maybe suggest how to solve it.
I would greatly apreciate any help.
The output file for gallium nitride nanotube fails with amber and reads as such
:
-----------------------------
# opt amber geom=connectivity
-----------------------------
1/6=10,10=10,14=-1,18=4000020,19=15,38=1,56=2,57=2,64=3/1,3;
2/9=110,12=2,17=6,18=5,40=1/2;
3/5=30,11=9,16=1,25=1,30=1,41=10300000,43=2,71=1/1;
4/20=11,22=1001,24=3/2;
7/44=-1/16;
1/6=10,10=10,14=-1,18=4000020,19=15,64=3/3(2);
2/9=110/2;
99//99;
2/9=110/2;
3/5=30,11=9,16=1,25=1,30=1,41=10300000,43=2,71=1/1;
4/16=2,20=11,22=1001,24=3/2;
7/44=-1/16;
1/6=10,10=10,14=-1,18=4000020,19=15,64=3/3(-4);
2/9=110/2;
99//99;
-----------
GaNNT_amber
-----------
Symbolic Z-matrix:
Charge =  0 Multiplicity = 1
N-N3                  2.75806   3.79615  -3.31607
Ga-                   3.11609   4.28892  -1.51378
N-N3                  1.44687   4.45301  -0.62095
Ga-                   1.63956   5.04603  -4.20665
N-N3                  0.        4.69232  -3.31607
Ga-                   0.        5.30142  -1.51378
N-N3                 -1.44687   4.45301  -0.62095
Ga-                  -1.63956   5.04603  -4.20665
N-N3                 -2.75806   3.79615  -3.31607
Ga-                  -3.11609   4.28892  -1.51378
N-N3                 -3.78794   2.7521   -0.62095
Ga-                  -4.29241   3.11862  -4.20665
N-N3                 -4.46266   1.45     -3.31607
Ga-                  -5.04195   1.63823  -1.51377
N-N3                 -4.68218   0.       -0.62094
Ga-                  -5.30573   0.       -4.20665
N-N3                 -4.46266  -1.45     -3.31607
Ga-                  -5.04195  -1.63823  -1.51377
N-N3                 -3.78794  -2.7521   -0.62095
Ga-                  -4.29241  -3.11862  -4.20665
N-N3                 -2.75806  -3.79615  -3.31607
Ga-                  -3.11609  -4.28892  -1.51378
N-N3                 -1.44687  -4.45301  -0.62095
Ga-                  -1.63956  -5.04603  -4.20665
N-N3                  0.       -4.69232  -3.31607
Ga-                   0.       -5.30142  -1.51378
N-N3                  1.44687  -4.45301  -0.62095
Ga-                   1.63956  -5.04603  -4.20665
N-N3                  2.75806  -3.79615  -3.31607
Ga-                   3.11609  -4.28892  -1.51378
N-N3                  3.78794  -2.7521   -0.62095
Ga-                   4.29241  -3.11862  -4.20665
N-N3                  4.46266  -1.45     -3.31607
Ga-                   5.04195  -1.63823  -1.51377
N-N3                  4.68218   0.       -0.62094
Ga-                   5.30573   0.       -4.20665
N-N3                  4.46266   1.45     -3.31607
Ga-                   5.04195   1.63823  -1.51377
N-N3                  3.78794   2.7521   -0.62095
Ga-                   4.29241   3.11862  -4.20665
N-N3                  2.71183   3.73253   2.08534
Ga-                   3.11466   4.28697   3.85789
N-                    1.50907   4.64445   4.83424
Ga-                   1.62638   5.00548   1.18906
N-N3                  0.        4.61368   2.08534
Ga-                   0.        5.29901   3.85788
N-                   -1.50907   4.64445   4.83424
Ga-                  -1.62638   5.00548   1.18906
N-N3                 -2.71183   3.73253   2.08534
Ga-                  -3.11466   4.28697   3.85789
N-                   -3.95075   2.87039   4.83423
Ga-                  -4.2579    3.09355   1.18906
N-N3                 -4.38785   1.4257    2.08534
Ga-                  -5.03963   1.63748   3.85789
N-                   -4.88347   0.        4.83424
Ga-                  -5.26308   0.        1.18907
N-N3                 -4.38785  -1.4257    2.08534
Ga-                  -5.03963  -1.63748   3.85789
N-                   -3.95075  -2.87039   4.83423
Ga-                  -4.2579   -3.09355   1.18906
N-N3                 -2.71183  -3.73253   2.08534
Ga-                  -3.11466  -4.28697   3.85789
N-                   -1.50907  -4.64445   4.83424
Ga-                  -1.62638  -5.00548   1.18906
N-N3                  0.       -4.61368   2.08534
Ga-                   0.       -5.29901   3.85788
N-                    1.50907  -4.64445   4.83424
Ga-                   1.62638  -5.00548   1.18906
N-N3                  2.71183  -3.73253   2.08534
Ga-                   3.11466  -4.28697   3.85789
N-                    3.95075  -2.87039   4.83423
Ga-                   4.2579   -3.09355   1.18906
N-N3                  4.38785  -1.4257    2.08534
Ga-                   5.03963  -1.63748   3.85789
N-                    4.88347   0.        4.83424
Ga-                   5.26308   0.        1.18907
N-N3                  4.38785   1.4257    2.08534
Ga-                   5.03963   1.63748   3.85789
N-                    3.95075   2.87039   4.83423
Ga-                   4.2579    3.09355   1.18906
Missing atomic parameters for atom     2 IAtTyp=    20000000
Missing atomic parameters.
Error termination via Lnk1e in C:\G09W\l101.exe at Sat Sep 16 06:23:34 2017.
Job cpu time:  0 days  0 hours  0 minutes  1.0 seconds.
File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=
1
Noor Afifah
```