[gmx-users] how to continue simulation?
gromacs2004 at yahoo.com
Wed Jul 7 05:51:05 CEST 2004
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.
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