Entering edit mode
7.9 years ago
ericbrenner
•
0
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?