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The integration time step of the simulations was set to 2.0 fs, the SHAKE algorithm was used to constrain the lengths of all chemical bonds involving hydrogen atoms at their equilibrium values [48], and the water geometry was restrained rigid by using the SETTLE algorithm [49].
The integration time step of the simulations was set to 2.0 fs, the SHAKE algorithm was used to constrain the lengths of all chemical bonds involving hydrogen atoms at their equilibrium values, and the water geometry was restrained rigidly by using the SETTLE algorithm.
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Detailed rendering studies on simpler glass and water geometries are recommended to assure that the resulting renderings do not deviate too much from physical reality.
In addition, the influence of water channel geometry, including aspect ratio and fillet geometry on the fingering were also investigated.
Marchitto, T. M. & Broecker, W. S. Deep water mass geometry in the glacial Atlantic Ocean: A review of constraints from the paleonutrient proxy Cd/Ca.
The calculated modulation created by the lead sheets was re-imported into the treatment planning system and applied to a water phantom geometry for verification purposes.
The presented procedures and experimental results demonstrate the above mentioned method as an effective analytical tool for the study of water jet geometry and velocity fields.
T-splines also guarantee a water-tight geometry without the manual geometrical-repair work as with non-uniform rational B-splines (NURBS).
A shortcoming of generic empirical equations used for hazard assessment is that they are commonly based on the two idealised water body geometries of a wave channel (2D) or a wave basin (3D).
Each of the three ligands was immersed in an explicit water solvent, geometry-optimized by classical MM and QM/MM methods, and subjected to FMO calculations with 2-, 3-, and 4-body corrections under several fragmentation options.
Gone, too, are the perplexing flavored waters and geometries of vegetable powder.
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