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Re: 0.25 backbone RMSD/2.9 heavy atoms

Hi, Shiyong,

Sure. The RMSD are from the LS superimposed structures. Using the crystal
structure of the same protein as the template (perfect alignment here),
the backbone RMSD are great (under 0.3) but if all the heavy atoms are
selected, the RMSD jumped to around 3.0 angstroms. Here, only 10 models
(instead of 50) generated. So, it is an 'initial' result. But 3.0 angstrom
is really surprising given the perfect template. Since the only parameter
changed is the MD_level, all other default parameters were used. Perhaps
the result is what we expect? 


Best wishes,

Jian Hui