Hi There,
I am running a long MDS for one protein molecule in water, To avoid error I
am running the simulation in parts like 20 nsec each.
Each time I am creating a new tpr, trr and edr using the tpbconv and mdrun.
Last time when I fired a job for 60-80 nsec then the job crashed because of
some power supply problem. Now I want to continue the job from where it
crashed ..
while using ..... tpbconv with tpr, trr and edr file it gave me message like
_---------------------------------------
trn version: GMX_trn_file (double precision)
Read frame 4: step 0 time 60000.000
Using frame of step 0 time 60000
Opened emprmd_np24.edr as double precision energy file
Reading frame 0 time 60000.000
READ 3 PRESSURE COUPLING MU'S FROM emprmd_np24.edr
40000000 steps (80000 ps) remaining from first run.
Writing statusfile with starting step 0 and length 40000000
steps...
time 0.000 and length 80000.000 ps
-------------------------------------------------------------
above message indicates that it is going to start the run from step 0, which
seems waste for me....
Can I continue the job from where it crashed, or is it better to run the
60-80 nsec job again?
With Thanks,
Vivek
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