[gmx-users] restarting mdrun
Mark Abraham
Mark.Abraham at anu.edu.au
Tue Feb 16 18:57:13 CET 2010
On 17/02/10 04:43, Chandan Choudhury wrote:
> Thanks Justin !!
> But my state_prev.cpt file shows
> $gmxcheck -f state_prev.cpt
>
> Checking file state_prev.cpt
>
> # Atoms 186864
> Last frame -1 time 9346.700
>
>
> Item #frames Timestep (ps)
> Step 1
> Time 1
> Lambda 1
> Coords 1
> Velocities 1
> Forces 0
> Box 1
>
> Here also the time is greater than the .trr file.
>
> Cant understand how to overcome it.
Your checkpoint interval need not match your .trr-writing interval - see
your .mdp file.
Mark
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