[gmx-users] Re; .xtc and .trr file is missing

[RJ]

Dear Tsjerk,


I already set " nstxout-compressed  = 5000      ; write .xtc trajectory every 10.0 ps " in my mdp file
My cpt file checking through gmxcheck are reading the 100 ns as last frame but dont how i miss this .xtc and .trr file? It could happen lack of memory ? Any possible to get those file using the .cpt file? Any suggestion would be appreciated. Thanks.

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Subject: Re: [gmx-users] .xtc and .trr file is missing 
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Hi RJ, 

For an XTC file, you need to set nstxtcout (GMX 4.x) or nstxout_compressed 
(GMX 5). A TPR file is a run _input_ file and is not generated as output. 

Cheers, 

Tsjerk 

On Mon, Jun 22, 2015 at 6:11 AM, RJ <rajiv at kaist.ac.kr> wrote: 

> Dear gmx. 
> 
> 
> I run 100ns simulation of my protein with ligand. After completing the 
> 100ns, the output doesnt give .xtc and .tpr files of final output. i could 
> find .cpt .edr .gro .tpr files of final output. 
> 
> 
> Please guide me how can i get the final output of these files ? Thanks 
> -- 
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