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