[gmx-users] trajectory output from g_select ?
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.
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