water refinement in Xplor-NIH
 

water refinement in Xplor-NIH

Starting at Xplor-NIH 2.26 (now it’s version 2.29 on Feb. 8th, 2012), official Xplor-NIH package provides an example script doing explicit solvent refinement. The short description made by Xplor-NIH author: ============ wrefine.py: refinement with explicit solvent and full electrostatics. Includes*rdcs, noes, jcoupling terms and dihedral restraints. This is a*work-in-progress. Please compare with other protocols. In*particular, [...]http://stats.wordpress.com/b.gif?hos...wu&ref=&feed=1

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