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
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