<div dir="ltr">Hi There,<br>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.<br>Each time I am creating a new tpr, trr and edr using the tpbconv and mdrun.<br>
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 ..<br>while using ..... tpbconv with tpr, trr and edr file it gave me message like<br>
_---------------------------------------<br>trn version: GMX_trn_file (double precision)<br>Read frame 4: step 0 time 60000.000<br><br>Using frame of step 0 time 60000<br>Opened emprmd_np24.edr as double precision energy file<br>
Reading frame 0 time 60000.000 <br><br>READ 3 PRESSURE COUPLING MU'S FROM emprmd_np24.edr<br><br>40000000 steps (80000 ps) remaining from first run.<br>Writing statusfile with starting step 0 and length 40000000 steps...<br>
time 0.000 and length 80000.000 ps<br>-------------------------------------------------------------<br><br>above message indicates that it is going to start the run from step 0, which seems waste for me....<br>
Can I continue the job from where it crashed, or is it better to run the 60-80 nsec job again?<br><br><br>With Thanks,<br>Vivek<br></div>