How can I make Rosetta run faster?
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Entering edit mode
7.4 years ago

Aside from just using better hardware. I've got a bunch of small peptides for which I'm trying to get structures. Here are my flags at the moment:

./source/bin/AbinitioRelax.linuxgccrelease
-database ./database
    -in:file:fasta ./Pep_1-1_test/t000_.fasta
    -in:file:frag3 ./Pep_1-1_test/aat000_03_05.200_v1_3  
-in:file:frag9 ./Pep_1-1_test/aat000_09_05.200_v1_3 
    -abinitio:relax
    -relax:fast
    -abinitio::increase_cycles 10
    -abinitio::rg_reweight 0.5
    -abinitio::rsd_wt_helix 0.5
    -abinitio::rsd_wt_loop 0.5
    -use_filters true
    -psipred_ss2 ./Pep_1-1_test/t000_.psipred_ss2
 -out:file:silent Pep_1-1_test.out
        -nstruct 1000

Any changes you'd suggest to speed things up?

rosetta • 1.1k views
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