[gmx-users] What is the important thing when we are watching the MD trajectory movie?

Mark Abraham Mark.Abraham at anu.edu.au
Sat Jun 20 03:41:59 CEST 2009


Chih-Ying Lin wrote:
> Hi
> What is the important thing when we are watching the MD trajectory movie?

Popcorn :-) Seriously, it depends on the objective of the simulation. If 
you're looking for some rare event to occur and can't define a numerical 
criterion for which to search, you might watch for it. Most of my 
simulations only get watched to check that nothing obviously stupid is 
going on.

> Are people watching the whole trajectory movie?
> It might take 3-4 hours or longer.
> What is the efficient way to watch the trajectory movie?

You don't have to save every frame (see .mdp options), nor watch every 
frame (see trjconv and/or your viewer options).

Mark



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