On Feb 6, 2009, at 6:58 AM, Andy Millston wrote:
I am told by a mentor that rigid body refinement should never be the last refinement before submission to pdb. Any idea why?
It is counter-productive and he/she doesn't want to get jumped and beaten up in the parking lot at the next conference.
Structures in which every round of retrained refinement messes up a conformation, is there any alternative to not using rigid body refinement?
Find out why the conformation is being "messed up" because that is usually telling you something has been fit wrongly.
Andy
Bill
