Sentence examples for atoms were fixed from inspiring English sources

All atoms were fixed during the first phase of simulation except for the PB chains.

The Si atoms at the bottom bilayer and the passivating H atoms were fixed while all other atoms were allowed to relax.

Water H atoms were fixed geometrically.

In the fitting, the coordination numbers of the first-nearest-neighbour oxygen atoms were fixed at 6.

The Uiso values for the hydrogen atoms were fixed at 1.2 times the Ueq of the carrier atom (C).

Hydrogen atoms were located in difference maps and those bonded to carbon atoms were fixed in idealised positions.

It is in sharp contrast to the natural molecules in which the geometric positions of composed atoms are fixed.

The boundary atoms are fixed in space to reduce the boundary effects and maintain the proper symmetry of the lattice.

In the model, three layers of carbon atoms are fixed using a bridge-type support and six carbon lateral layers of thermostat atoms are set as thermal layers.

In order to obtain comparable results with all four programs, we used the docking method that they have in common, the semi-rigid docking, in which the target atoms are fixed and the ligands are flexible.

However, if this does not succeed and a quantity of carbon atoms is fixed into the tetrahedral or other pores of the K-phase crystal lattice, we can expect some changes in properties of K-phase.