[gmx-users] g_confrms and superimposed structures

[Justin A. Lemkul]

leila karami wrote:
> Dear Justin
> 
> Thanks for your attention
> 
> My problem was solved.
> 
> I have a new question. as I said my goal is superposition of averaged md 
> structure and x-ray structure.
> 
> My simulation is 5 ns. How to obtain the MD structure average for the 
> period 1.5–5 ns? what command?
> 
> 

There are several tools that can generate average structures.  Please read the 
manual.  Also bear in mind the advice here:

http://www.gromacs.org/Documentation/Terminology/Average_Structure

-Justin

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================