ADL: Energy is Infinite error

Raja S rs0504 at hotmail.com
Thu Mar 13 12:32:04 PDT 2008


Hi all,
 
I am working on a docking with  these parameters:  normal LGA parameters.
 
When I run autodock ( I am running Autodock tools on windows), i get this error,:
 
Run: 1 / 10Date: Thu Mar 13 11:51:29 2008Output level is set to 1.
Creating an initial population of 150 individuals.
Assigning a random translation, a random orientation and 9 random torsions to each of the 150 individuals.
Beginning Lamarckian Genetic Algorithm (LGA), with a maximum of 25000000energy evaluations.
Generation: 100   Oldest's energy: -52733758.880    Lowest energy: -52733758.880    Num.evals.: 76867   Timing: Real= 0.03s,  CPU= 0.03s,  System= 0.00sGeneration: 200   Oldest's energy: -51643823.099    Lowest energy: -54165430.825    Num.evals.: 143521   Timing: Real= 0.03s,  CPU= 0.03s,  System= 0.00seval.cc:  ERROR!  energy is infinite!
ATOM      1  C   INF     1      10.066  -5.620  13.315 +0.00 +0.00    +0.117ATOM      2  C   INF     1       9.510  -6.747  12.484 +0.00 +0.00    +0.214ATOM      3  C   INF     1       8.690  -6.480  11.448 +0.00 +0.00    -0.349ATOM      4  C   INF     1       9.801  -7.895  12.746 +0.00 +0.00    -0.274ATOM      5  C   INF     1       8.456  -5.562  11.238 +0.00 +0.00    +0.163ATOM      6  C   INF     1       8.149  -7.576  10.640 +0.00 +0.00    +0.172ATOM      7  C   INF     1       7.681  -8.707  11.558 +0.00 +0.00    +0.295ATOM      8  C   INF     1       8.772  -9.167  12.354 +0.00 +0.00    -0.348ATOM      9  C   INF     1       9.705  -9.800  11.481 +0.00 +0.00    +0.180ATOM     10  C   INF     1      10.339  -8.760  10.556 +0.00 +0.00    +0.194ATOM     11  C   INF     1       9.241  -8.111   9.705 +0.00 +0.00    +0.191ATOM     12  C   INF     1       6.624  -8.218  12.425 +0.00 +0.00    -0.288ATOM     13  C   INF     1       5.846  -7.198  12.026 +0.00 +0.00    +0.257ATOM     14  C   INF     1       6.204  -6.416  10.788 +0.00 +0.00    +0.126ATOM     15  C   INF     1       4.860  -6.908  12.659 +0.00 +0.00    -0.266ATOM     16  C   INF     1      10.798 -10.478  12.310 +0.00 +0.00    +0.198ATOM     17  C   INF     1      10.792 -11.883  12.049 +0.00 +0.00    -0.398ATOM     18  C   INF     1      10.862 -12.326  12.906 +0.00 +0.00    +0.209ATOM     19  C   INF     1      11.002  -7.742  11.352 +0.00 +0.00    -0.311ATOM     20  C   INF     1      11.934  -6.954  10.794 +0.00 +0.00    +0.255ATOM     21  C   INF     1      13.332  -7.476  10.581 +0.00 +0.00    +0.126ATOM     22  C   INF     1      11.652  -5.827  10.463 +0.00 +0.00    -0.266ATOM     23  C   INF     1       9.803  -7.016   8.935 +0.00 +0.00    -0.311ATOM     24  C   INF     1      10.742  -7.260   8.009 +0.00 +0.00    +0.255ATOM     25  C   INF     1      10.468  -6.956   6.559 +0.00 +0.00    +0.126ATOM     26  C   INF     1      11.808  -7.725   8.337 +0.00 +0.00    -0.266eval.cc:  ERROR!  energy is not a number!
ATOM      1  C   NaN     1      10.066  -5.620  13.315 +0.00 +0.00    +0.117ATOM      2  C   NaN     1       9.510  -6.747  12.484 +0.00 +0.00    +0.214ATOM      3  C   NaN     1       8.690  -6.480  11.448 +0.00 +0.00    -0.349ATOM      4  C   NaN     1       9.801  -7.895  12.746 +0.00 +0.00    -0.274ATOM      5  C   NaN     1       8.456  -5.562  11.238 +0.00 +0.00    +0.163ATOM      6  C   NaN     1       8.149  -7.576  10.640 +0.00 +0.00    +0.172ATOM      7  C   NaN     1       7.681  -8.707  11.558 +0.00 +0.00    +0.295ATOM      8  C   NaN     1       8.772  -9.167  12.354 +0.00 +0.00    -0.348ATOM      9  C   NaN     1       9.705  -9.800  11.481 +0.00 +0.00    +0.180ATOM     10  C   NaN     1      10.339  -8.760  10.556 +0.00 +0.00    +0.194ATOM     11  C   NaN     1       9.241  -8.111   9.705 +0.00 +0.00    +0.191ATOM     12  C   NaN     1       6.624  -8.218  12.425 +0.00 +0.00    -0.288ATOM     13  C   NaN     1       5.846  -7.198  12.026 +0.00 +0.00    +0.257ATOM     14  C   NaN     1       6.204  -6.416  10.788 +0.00 +0.00    +0.126ATOM     15  C   NaN     1       4.860  -6.908  12.659 +0.00 +0.00    -0.266ATOM     16  C   NaN     1      10.798 -10.478  12.310 +0.00 +0.00    +0.198ATOM     17  C   NaN     1      10.792 -11.883  12.049 +0.00 +0.00    -0.398ATOM     18  C   NaN     1      10.862 -12.326  12.906 +0.00 +0.00    +0.209ATOM     19  C   NaN     1      11.002  -7.742  11.352 +0.00 +0.00    -0.311ATOM     20  C   NaN     1      11.934  -6.954  10.794 +0.00 +0.00    +0.255ATOM     21  C   NaN     1      13.332  -7.476  10.581 +0.00 +0.00    +0.126ATOM     22  C   NaN     1      11.652  -5.827  10.463 +0.00 +0.00    -0.266ATOM     23  C   NaN     1       9.803  -7.016   8.935 +0.00 +0.00    -0.311ATOM     24  C   NaN     1      10.742  -7.260   8.009 +0.00 +0.00    +0.255ATOM     25  C   NaN     1      10.468  -6.956   6.559 +0.00 +0.00    +0.126ATOM     26  C   NaN     1      11.808  -7.725   8.337 +0.00 +0.00    -0.266eval.cc:  ERROR!  energy is infinite!
 
How do I go about solving the problem? i cannot seem to figure it out,
 
Raja
 
 
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