Amber_Score: nan
Amber_complex_energy: nan
Amber_receptor_energy: -806.187372
Amber_ligand_energy: -7.003121
Computing the receptor energy:
Done computing the receptor energy.
Done initializing Amber_Score.
Reading the ligand anchor_and_grow_scored.1 input files.
Number of ligand strands is 1
Number of ligand residues is 1
Number of ligand atoms is 55
Reading the complex charged.anchor_and_grow_scored.1 input files.
Number of complex strands is 4
Number of complex residues is 457
Number of complex atoms is 7210
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Computing the ligand energy:
Minimization reached the maximum number of iterations.
The random number is 1454538876
Minimization reached the maximum number of iterations.
Done computing the ligand energy.
**************************************
Computing the complex energy:
Minimization terminated due to a nondecreasing function value.
The random number is 1454538876
Minimization terminated due to a nondecreasing function value.
Done computing the complex energy.
Energy of the complex charged.anchor_and_grow_scored.1 is nan
Energy of the receptor charged is 806.187372094
Energy of the ligand anchor_and_grow_scored.1 is 7.0031212578