11 Feb
2008
11 Feb
'08
8:43 p.m.
2) Minimise the geometry of the protonated model from 1) withOUT X- ray term with:
phenix.geometry_minimization --max-iterations=N input_h.pdb
I have a question about geometry_minimization. I think wxc_scale = 0 is the same as phenix.geometry_minimization. But I have some external bond definitions defined in the eff file. So if I use wxc_scale = 0 and phenix.refine, will those external bonds be imposed on the model as the default geometries? Thanks. Jianghai