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The choice for the initial conformation is less obvious, and we used a local-energy-minimized structure (obtained through a few-minute run of Newton minimization in the TINKER package [ 33] on a Linux PC), starting from the fully extended conformation.
The performance of the error-entropy minimization is compared with the mean-square-error minimization in the simulation results.
A framework is presented for multi-material compliance minimization in the context of continuum based topology optimization.
Water minimization in the process industry is becoming increasingly important in chemical industries, especially for the batch plants.
Concerning the error minimization in the estimation of the response and some statistical methods, the suitable model was selected.
This paper presents a case study of pollution prevention and waste minimization in the North American gold mining industry.
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Energy Minimization: In this step the actual energy minimization process is performed and corresponds to the Gromacs command 'mdrun'.
The minimization in this paper is carried out by minimizing the cross entropy using conjugate gradients [22].
As a matter of fact, in the limit, the minimization in (32) assumes the (approximate) form.
As it will be clear in the following, it is convenient to express the arguments of the minimization in (4) through the functions f1 and f2.
The energy minimization in vacuum gave the ligand-binding protein of smaller size than the energy-optimized crystal structure of holo protein.
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