8 Apr
2010
8 Apr
'10
2:54 a.m.
I'm not sure to what extent this is true. Ralf, what would be the effect of those extra H-bonds when running torsion angle dynamics? Will they be used in the rigidity analysis, or will they just behave as they would in cartesian dynamics?
The rigidity analysis excludes bonds with a slack != 0; they will only be maintained as restraints. All bonds with slack == 0 are treated the same, no matter how they were defined (cif or custom or any other way). Ralf