MDFF simulations in membrane environment

From: Luba Simhaev (
Date: Wed Feb 22 2017 - 06:15:09 CST

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 Simhaev*
*PhD Candidate*
*Chemistry **Department*
*Bar-Ilan University*

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