[gmx-users] Reading multiple trajectories for Gromacs analysis

anu chandra anu80125 at gmail.com
Wed Feb 10 19:14:58 CET 2016

Hello all,

I just finished a 100 ns simulation using Gromacs, where I ran the
simulation with a 5 ns window (ie. now I have 20 .trr files with 5 ns data
in each).  As I am quiet new to Gromacs, I just wonder how can I read all
the 20 trr files one-by-one to do some basic Gromacs analysis. For e.g if I
would like to see the change in RMSD along the 100 ns of simulation time,
how should I read the all trr files to do the calculation with g_rms? I do
aware that a small shell script will do the job, but I just wonder if there
is a little more straight way to do it in Gromacs itself.

Any suggestions would be highly appreciated


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