Reply To: Loop modeling FLAGS

[Anonymous]

Thank very much! It is already working!!

> Hello, I would like to ask about loop modelling flags.
>
> I am modelling a loop using the following flags file:
>
> -nstruct 500
> -database /data/jklett/Software/src/rosetta3_databa
> -in::file::fulllatom
> -loops::input_pdb t000/t000.template.pdb
> -loops::loop_file t000/t000.pose_loops
> -loops::frag_sizes 9 3
> -loops::frag_files t000/aat000_09_05.200_v1_3 t000/aat000_03_05.200_v1_3
> -loops::build_initial false
> -loops::remodel quick_ccd
> -loops::refine refine_ccd
> I am trying to run this model in a cluster, and to do so, I submit the following script:
>
> #!/bin/tcsh
> cd $WORKINGFOLDER
> $EXEHOME/rosetta3-bin/32/loopmodel.linuxiccrelease @flags
>
> as many times as the numbers of processors I want to use.
>
> My problem is that when i send this script 80 times (80 processors), it takes ages to get my results. In average, I get about four models every half an hour. I don’t know whether I am not writing the appropriate flags.
>
> thanks very much in advance
>