Dear sir,
I used amber12 for creating the prepin file for my molecule
which contains 273 atoms. But the prepin file created looks like
this... i.e upto 167 lines the parameters were generated. how can i
able to solve this problem? kindly help me..
-------------------------------------------------------------------------------------------------------------------
0 0 2
This is a remark line
molecule.res
ROH 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 O3 oh M 3 2 1 1.540 111.208 180.000 -0.44067
5 H6 ho E 4 3 2 0.960 3.649 68.895 0.27242
6 C3 c3 M 4 3 2 1.434 111.390 126.810 0.02772
7 H4 h1 E 6 4 3 1.091 109.322 58.520 0.07597
8 H5 h1 E 6 4 3 1.090 108.864 176.845 0.07597
9 C2 c3 M 6 4 3 1.535 108.879 -62.514 0.08635
10 H3 h1 E 9 6 4 1.092 109.408 -55.307 0.09175
11 O2 os M 9 6 4 1.484 107.698 63.108 -0.35081
12 C1 c3 M 11 9 6 1.478 117.422 -179.398 0.14109
13 O1 oh S 12 11 9 1.434 110.544 -174.338 -0.41683
.
.
.
.
.
160 H3E h1 E 159 155 153 1.090 109.285 50.157 0.08854
161 O23 oh S 159 155 153 1.437 107.199 -67.372 -0.43410
162 H42 ho E 161 159 155 0.959 109.545 116.466 0.27305
163 C33 c3 M 159 155 153 1.545 114.477 173.971 0.02585
164 H3F h1 E 163 159 155 1.091 111.054 -45.902 0.07585
165 H40 h1 E 163 159 155 1.091 111.324 73.983 0.07585
166 O22 oh M 163 159 155 1.433 109.320 -164.532 -0.44074
167 H41 ho E 166 163 159 0.960 109.088 71.830 0.27242
168 X 1 0 1 9.872 nan -0.000 0.00000
169 X 1 0 1 9.872 nan 0.000 0.00000
170 X 1 0 1 9.872 nan 0.000 0.00000
171 X 1 0 1 9.872 nan 0.000 0.00000
172 X 1 0 1 9.872 nan 0.000 0.00000
173 X 1 0 1 9.872 nan 0.000 0.00000
174 X 1 0 1 9.872 nan 0.000 0.00000
175 X 1 0 1 9.872 nan 0.000 0.00000
176 X 1 0 1 9.872 nan 0.000 0.00000
177 X 1 0 1 9.872 nan 0.000 0.00000
178 X 1 0 1 9.872 nan 0.000 0.00000
------------------------------------------------------------------------------------------------
Regards,
Jasmine
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Received on Mon Jan 12 2015 - 01:00:02 PST
