[gmx-users] Could md rerun regenerate corresponding .edr file??

sunita at chem.iitb.ac.in sunita at chem.iitb.ac.in
Mon Aug 1 07:41:21 CEST 2005

Dear users,

I was extending a simulation. By some reasons it crashed. These
simulations are performed in gromacs version 3.1.4. When I analysed the
files such as .trr, .tpr and .edr files, I found the number of frames in
.trr and .edr files are different. The energy file generated from the .edr
file have 50 less time frames than the corresponding .trr file. I have
extended many crashed simulations but have never came across such
situation, in these cases both the files have same number of frames. I am
saving a frame in every 0.5 ps.

In such situation can I regenerate .edr file from the corresponding .trr
and .tpr file by doing md rerun?

Thanks for your appreciation.

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