A question on the significance of applying restraint weights in amber11.
Given that the default value for restraint_wt is 1, I am assuming that giving higher values for the restraint weight (e.g. restraint_wt=2) would keep the restrained atoms closer to their reference positions.
Is there a rule of thumb as to what weight to apply for energy minimisation? How high should be the restraint_wt be set?
Thanks in advance for the advice
George
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Received on Mon Aug 23 2010 - 04:00:04 PDT
