[gmx-users] how to continue simulation?

[Rui Qiao]

Dear Gromacs-ers:

  I plan to run some of my simulations on a cluster,
where we have a wall time limit of 24 hour. So I am
interested to find an easy way to continue a
simulation after it is finished.

 One can certainly use the .gro file at the end of 
the simulation to start with, but my concern is that
the gro file has a lower precision compared to the
.trr file - can we use the ending point of .trr file
as a start? The tpbconv can do this, but it is useful
when the original simulation crashed.

   Thanks,

   sincerely,

   Rui


		
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