Thanks for reply Justin, <br>I have given run 375000 steps but in between simulation stopped, in terminal showed that segmentation fault and in .log file showed that <br>"t = 650.000 ps: Water molecule starting at atom 14549 can not be settled.<br>
Check for bad contacts and/or reduce the time step.Wrote pdb files with previous<br>and current coordinates"<br>I have start from the scratch?<br>Thanks for your appreciation.<br><br><pre>><i> HI all,<br></i>><i> My simulation crashed mid of the run , I genrated restart.tpr by using<br>
</i>><i> tpbconv command for restart my simulation, Then I when I give mdrun -v<br></i>><i> -deffnm restart.tpr<br></i>><i><br></i>><i> It showed below mentioned two lines and stopped.<br></i>><i> "Wrote pdb files with previous and current coordinates<br>
</i>><i> step 0, will finish at Sat May 3 02:07:06 2008Segmentation fault"<br></i>><i> Could you tell me the reason<br></i>><i> Thanks for your appreciation<br></i>><i><br></i><br>Did your simulation crash with a segmentation fault/LINCS warnings, etc? If so,<br>
tpbconv won't magically rescue your simulation, there's something physically<br>unreasonable about it and you need to reconsider your<br>minimization/equilibration scheme.<br><br>-Justin<br><br><br></pre><br>