VMD-L Mailing List
From: Davide Mercadante (as126_at_uni-heidelberg.de)
Date: Thu Jan 28 2016 - 10:30:47 CST
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Dear All,
I have been reading several posts about this but I couldn’t find an answer and what I am trying is not working. I have a simulation run with GROMACS and trr or eventually gro files in which velocity information for each atom are stored. In order to do something with those in my script I want to extract these information.
I’ve found this http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/trrplugin.html which makes me think that may be there is no easy solution yet for this inside vmd. The "$sel get {vx vy vz}" command doesn’t seem to be working as I get a list with 0 values {0.0 0.0 0.0}. Looking at previous posts on the mailing list some other users successfully ran this command to get velocities out but I am not sure if they were using NAMD- or LAMMPS-like trajectories (not specified). Is there any other way of getting these information using VMD and gromacs trajectories?
Thank you for your time.
Cheers,
Davide
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