thanx sarath 4r reply..can u expalin little bit more..I did not get from
mdrun -h.
On , Sarath Chandra Dantu <[email protected]> wrote:
On 29 May 2011 14:45, [email protected]> wrote:
Hi all..
I want to ask if it is possible to restart the md run if due to power
problem final md run not completed means initiating md from where is stop
due to any reason?
You can supply the checkpoint file written out, by -cpi option to mdrun
and continue your simulation. For more information
mdrun -h.
Best Wishes,
Sarath
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