On 12/19/2013 10:14 AM, Dermot Mallon wrote:
I wonder, is it a reasonable approach to energy minimize the templates and use these as templates for producing models thereby reducing the need for energy minimization on (a much larger number of) models?
I guess your assumption here is that if the input is GROMACS-relaxed, the output will be too. I doubt that will actually be the case, since the Modeller forcefield is different from the GROMACS one. I wouldn't touch the templates.
Ben Webb, Modeller Caretaker -- modeller-care@salilab.org http://www.salilab.org/modeller/ Modeller mail list: https://salilab.org/mailman/listinfo/modeller_usage