VMD-L Mailing List

From: Rune Thomas Kidmose (rtk_at_mbg.au.dk)
Date: Mon Feb 26 2018 - 03:48:08 CST

Hi all,

I have been tinkering with MDFF for the past half year now, and I have accumulated a couple of questions, one of which is:

Is it possible to somehow make MDFF handle large rotations of the initial model when fitting to the target density? It seems MDFF progresses quite linearly in its fitting, so is there a way to tell it or help it rotate e.g. a domain?

I have come across a couple of cases where a domain clearly should be rotated significantly to fit the density, but MDFF just kept on pushing it into the density and then proceeded to fill the density by pulling in the domain. I am not thinking about iMDFF, where you manually interact with the model, which currently is the only way that worked for me.

I acknowledge that rotation during MDFF it is not a trivial problem to solve but maybe I have missed some thing?

Cheers

Ruki