[gmx-users] Finishing time donot showing
bharath.chakravarthi at gmail.com
Tue Apr 20 17:57:04 CEST 2010
Sorry MDS means MD simulation
the commands are as follows
>tpbconv -s md.tpr -f md_traj.chk.trr -o md_01.tpr -until 1000
this shows last step before crashing and starts from there until 1000
>mdrun -s md_01.tpr -o md_traj_01.trr -c minim_water.gro -g md.log -e
On Tue, Apr 20, 2010 at 7:50 PM, XAvier Periole <x.periole at rug.nl> wrote:
> On Apr 20, 2010, at 9:14 AM, Bharath.K wrote:
> Hello all....
>> i got a system crash at some steps..
>> after creating the new .trr file using command tpbconv
> trr file with tpbconv? you mean tpr?
>> and running MDS
> what is MDS?
> by mdrun command the approximate finishing time is not showing.....
>> and also a warning is showing as
>> WARNING: this run may generate approximately 4583292 Mb of data....
> That is a bit enormous
>> is there any changes that i should do while giving the command and can i
>> continue with this warning.....
> Which exact command did you use?
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