Amber force field for phenix.real_space_refinement?
Dear All, I just wondered whether/how one can use the Amber force field also for phenix.real_space_refinement? I tried “use_amber=True” as it is implemented for phenix.refine but that option does exists for phenix.real_space_refinement … Thanks for your help BW Sebastian -------------------------------------- Sebastian Eustermann, PhD Gene Center LMU Munich, Germany
Hi Sebastian, Amber force field is not available in phenix.real_space_refine. Pavel On 1/24/18 02:01, Sebastian Eustermann wrote:
Dear All,
I just wondered whether/how one can use the Amber force field
also for phenix.real_space_refinement?
I tried “use_amber=True” as it is implemented for phenix.refine
but that option does exists for phenix.real_space_refinement …
Thanks for your help
BW
Sebastian
--------------------------------------
Sebastian Eustermann, PhD
Gene Center LMU Munich, Germany
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participants (2)
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Pavel Afonine
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Sebastian Eustermann