[gmx-users] How to obtain the temperature from a given trajectory

hector Mtz-Seara hseara1 at gmail.com
Tue Feb 5 07:41:44 CET 2008


Dear all,
I have some old trajectories trr files containing coordinates and
velocities. I also have the used tpr files. Unfortunately, I have lost the
edr file and I would like to plot the temperature of the simulation with the
time. There is anyway to do that with the -rerun option of mdrun or any
other way.
Thanks Hector
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