[gmx-users] trajectory output from g_select ?

jonathan jkhao at ifr88.cnrs-mrs.fr
Fri Mar 4 09:50:35 CET 2011


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 ...

Thanks

Jonathan




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