Hi Modellers, MODELLER provides a scaling option for energy function terms via e.g.: env.schedule_scale=physical.values(default=1.0, ca_distance=2) In this case, ca_distances are upscaled. If a CA-CA distance is described by a single Gaussian, its restraint is as in http://salilab.org/modeller/manual/node469.html#SECTION001332100000000000000 When scaling CA-CA distances by factor 2, is then "c" (and dc/df) simply multiplied by 2?
Thanks for elucidation
On 2/20/12 7:56 AM, Armin Meier wrote: > When scaling CA-CA distances by factor 2, is then "c" (and dc/df) simply > multiplied by 2?
Yes, the weight simply multiplies the contribution to the scoring function, and its first derivative.
Ben Webb, Modeller Caretaker