Hi,
I was running a simulation for 3ns and the system got turned off some how
and I restarted that crashed run ... will continue from the step at which it
got crashed or will it start from begining again ??
--
Bharat
Ph.D. Candidate
Room No. : 7202A, 2nd Floor
Biomolecular Engineering Laborator
Hi,
I am running a crashed run (orgininally for a 3ns simulation) but at the
time of rerunning I forgot to assign -v tag in the command and now I an not
able to know at which step the simulation is going on .. For that I check
the state.cpt file , actually there are two .cpt files one with state.c
On 01/20/11, bharat gupta wrote:
>
> Hi,
>
>
> I was running a simulation for 3ns and the system got turned off some how and
> I restarted that crashed run ... will continue from the step at which it got
> crashed or will it start from begining again ??
>
>
This is what the checkpoint
I have read that document .. but still I do have confusion ..
mdrun -s md_0_1.tpr -f md_0_1.trr -e md_0_1.edr -o md_0_1.trr -g md_0_1.log
-cpi -append... and I also completed 2 ns of the 3ns simulation.. So I want
to whether it will start from 2ns or from beginning...
--
Bharat
Ph.D. Candidate
R
On 01/20/11, bharat gupta wrote:
> I have read that document .. but still I do have confusion ..
>
>
>
> mdrun -s md_0_1.tpr -f md_0_1.trr -e md_0_1.edr -o md_0_1.trr -g md_0_1.log
> -cpi -append... and I also completed 2 ns of the 3ns simulation.. So I want
> to whether it will start fro
bharat gupta wrote:
Hi,
I am running a crashed run (orgininally for a 3ns simulation) but at the
time of rerunning I forgot to assign -v tag in the command and now I an
not able to know at which step the simulation is going on .. For that I
check the state.cpt file , actually there are two
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