From: Tristan Croll (
Date: Mon Aug 11 2014 - 20:13:42 CDT

Personally, I’d do it the other way around. Desolvate your structure, fit it into the map (either by moving it manually in VMD or using a package like Situs), save your coordinates, re-solvate and go from there.

From: [] On Behalf Of Luba Simhaev
Sent: Monday, 11 August 2014 7:23 PM
Subject: vmd-l: MDFF simulations


I would like to know how can I fit the target density map into the simulated box in a case that they are rotated with respect to each other?

I saw in the tutorial that it's not supported by VMD. Maybe there is another way?