Hi Junmei
When I convert from pdb to prepin file, it only convert 18 atoms, other
22 are labeled X like follow
I think I need to increase the limit of antechamber, could you please
tell me how to do it.
Thank you
0 0 2
This is a remark line
molecule.res
ZNF INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000
2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000
3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000
4 CA c3 M 3 2 1 1.540 111.208 180.000 0.00000
5 HA1 hc E 4 3 2 1.100 66.252 -37.576 0.00000
6 HA2 hc E 4 3 2 1.100 70.295 -170.274 0.00000
7 HA3 hc E 4 3 2 1.100 83.107 68.228 0.00000
8 CB c3 M 4 3 2 1.526 169.477 -70.720 0.00000
9 HB2 hc E 8 4 3 1.090 109.520 -155.561 0.00000
10 HB3 hc E 8 4 3 1.091 109.484 -35.623 0.00000
11 CG c2 M 8 4 3 1.509 115.012 84.373 0.00000
12 ND1 n2 M 11 8 4 1.404 122.000 -179.982 0.00000
13 CE1 c2 M 12 11 8 1.329 107.677 -179.994 0.00000
14 HE1 h5 E 13 12 11 1.090 119.989 -179.997 0.00000
15 NE2 na M 13 12 11 1.310 108.994 0.016 0.00000
16 HE2 hn E 15 13 12 1.010 124.760 -179.940 0.00000
17 CD2 c2 M 15 13 12 1.367 110.298 -0.043 0.00000
18 HD2 h4 E 17 15 13 1.089 119.977 179.972 0.00000
19 X 1 0 1 8.221 nan 942.009 0.00000
20 X 1 0 1 8.221 nan 942.009 0.00000
21 X 1 0 1 8.221 nan 942.009 0.00000
22 X 1 0 1 8.221 nan 942.009 0.00000
23 X 1 0 1 8.221 nan 942.009 0.00000
24 X 1 0 1 8.221 nan 942.009 0.00000
25 X 1 0 1 8.221 nan 942.009 0.00000
26 X 1 0 1 8.221 nan 942.009 0.00000
27 X 1 0 1 8.221 nan 942.009 0.00000
28 X 1 0 1 8.221 nan 942.009 0.00000
29 X 1 0 1 8.221 nan 942.009 0.00000
30 X 1 0 1 8.221 nan 942.009 0.00000
........
Qiang Lu
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Received on Wed Aug 20 2003 - 20:53:01 PDT