Hi all,
I am doing simulations on cluster piece by piece with -maxh and -noappend
options of mdrun.
However, one piece crushed way before approaching the max hours for unknown
reasons. As a result, the part0004.trr file contains a couple of frames
ahead of part0004.cpt file, since the most .cpt
Yes.
Tsjerk
On Oct 15, 2011 7:21 PM, Yun Shi yunsh...@gmail.com wrote:
Hi all,
I am doing simulations on cluster piece by piece with -maxh and -noappend
options of mdrun.
However, one piece crushed way before approaching the max hours for unknown
reasons. As a result, the part0004.trr file
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