[gmx-users] query for gromacs-4.5.4

Chaitali Chandratre chaitujoshi at gmail.com
Wed Mar 6 10:20:14 CET 2013


Dear Sir ,

I am new to this installation and setup area. I need some information for
-stepout option for
mdrun_mpi and also probable causes for segmentation fault in  gromacs-4.5.4.
(my node having 64 GB mem running with 16 processes, nsteps = 20000000)

Thanks in advance.

-- 
With Regards,
   Chaitali

"I know everything happens for a reason...But sometimes I wish I knew what
the reason was !! "



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