[phenixbb] Amber force field for phenix.real_space_refinement?

Pavel Afonine pafonine at lbl.gov
Wed Jan 24 07:53:41 PST 2018


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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