Sentence examples for between all atoms except from inspiring English sources

A cutoff of 10 Å was used for the calculation of nonbonded interactions between all atoms except for those in the EVB region, for which all of the interactions were explicitly calculated up to 99 Å from each atom (i.e., no cutoff was applied).

We first considered all atoms except for hydrogens, and calculated the distances between all pairs of atoms.

All atoms except for the H and Si atoms at the bottom were fully relaxed to optimize the surface total energy.

We relaxed all atoms except the bottom layer along the calculated forces until all the residual force components were less than 0.01 eV/Å.

Third, a residue's RD is calculated as the average atom depth for all atoms except the hydrogen atoms in this residue.

a) Side chain replacement according to mutant, b) energy minimization while keeping all atoms except the side chain fixed, c) energy minimization by allowing the side chain and all atoms around 8 Å of the side chain to move, and d) energy minimization while allowing all atoms to move.

The AP method compares shortest path distances between all atom pairs in a molecule.

The model of PTB2 with phosphorylated Ser (PTB2 pS610) was prepared with the SIDEpro server [ 26], with all atoms fixed except for Cβ and Oγ of Ser.

The authors calculated the RMSD between: (i) all atoms in the superimposed structures; (ii) atoms belonging to residues that bind the ligands or (iii) those implicated in catalysis.

Therefore, we distinguish two different atom types besides the reaction center (R-atom): identical or I-atoms, all matched atoms except the R-atom; and non-identical or N-atoms, all unmatched atoms (not to be confused with iodine (I) or nitrogen (N) atoms).

Moreover, there is no difference in charge distribution observed on all hydrogen atoms except the H21 hydrogen atom (H21 = 0.453 in RHF and 0.444 in DFT).