I have two questions:
1) To compare two different minimization algorithms, I run "-relax -cenrlx -ex1 -ex2", which, I believe, contains randomness in perturbation. How do I make each relax run the same?
2) How do I get the output of scoring functions of the chain after every move, especially during minimization?
Thank you very much.
Temsiri
*.sc file that I got only gives final scores. How do I get scores after every minimization step?
Thanks,
Temsiri
> I have two questions:
> 1) To compare two different minimization algorithms, I run "-relax -cenrlx -ex1 -ex2", which, I believe, contains randomness in perturbation. How do I make each relax run the same?
You can add the flag -constant_seed
> 2) How do I get the output of scoring functions of the chain after every move, especially during minimization?
the *.sc file should record the scores
>
> Thank you very much.
> Temsiri
1)Would -constant_seed work with multiple decoys?
My command line is
../../rosetta++/rosetta.gcc aa 1d3z _ -nstruct 1 –relax -cenrlx -ex1 -ex2
-l
2)* .sc file that I got only gives final scores. How do I get scores after every minimization step?
Thanks, Temsiri
> 1) To compare two different minimization algorithms, I run "-relax -cenrlx -ex1 -ex2", which, I believe, contains randomness in perturbation. How do I make each relax run the same?
BTW, the ex flags apply only to full atom, not to centroid modes, so I don't think they are doing anything for you in your command line. (They refer to chi 1 and chi 2 angles of side chains).