[gmx-users] Different energy using the identical tpr file

Fahimeh Baftizadeh fahimeh.baftizadeh at googlemail.com
Fri Apr 19 03:30:22 CEST 2013


I have a 2 tpr files which are identical. Then I am doing a single step MD
(I put n_step=0) simulation just to compute the total energy of a certain

These tpr files give me different energy values ... when I run it on my
computer or on another computer. Even the gromacs version is the same in
both computers. I compiled gromacs identical in both computers.

Can you help me to figure it out?

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