2 Jan
2014
2 Jan
'14
12:08 p.m.
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
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