From: Ryan McGreevy (ryanmcgreevy_at_ks.uiuc.edu)
Date: Wed Feb 22 2017 - 09:28:04 CST
So long as the protein and the density map, and the protein and the
membrane are correctly aligned, there should be no problem with running
MDFF.
On Wed, Feb 22, 2017 at 6:20 AM Luba Simhaev <luba.simhaev0703_at_gmail.com>
wrote:
> Hello everyone,
>
> I'm trying to run MDFF simulation of a protein in a membrane. After the
> rigid body docking of the protein to the density map, the target map (dx
> file) and the simulation box (protein+membrane+water) are rotated with
> respect to each other. Is there a way to change the orientation of the box
> in the dx file with respect to the density?
> I would appreciate your help.
>
> Luba
>
> --
>
> *Luba Simhaev*
>
> *PhD Candidate*
>
> *Chemistry **Department*
>
> *Bar-Ilan University*
>
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