[gmx-users] trajectory output from g_select ?

Mark Abraham mark.abraham at anu.edu.au
Fri Mar 4 13:46:50 CET 2011



On 04/03/11, jonathan  <jkhao at ifr88.cnrs-mrs.fr> wrote:
> Indeed, to be more specific, I would like to run a g_covar analysis on
> lipid acyl chains that are within a certain distance to a protein.
> Since the trajectories are quite long (+10K frames), splitting each
> frame to separate files, and then isolating the selection would require
> a lot of time.
> I can actually do this with python from VMD but I was wondering if
> gromacs tools could do this faster ...
> 

Aren't you going to have to end up with the same number of elements from each frame for the analysis? If so, you need to use a selection criterion that achieves that.

Mark
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