I'm attempting to do an ab initio prediction. I have created 360.000 structures using: AbinitioRelax.linuxgccrelease with the following flags:
I assume that the rosetta energy score is the one in the first column of the score.fsc file just after "SCORE: ". All the scores I get are positive?!
I have identified the lowest scoring file (score = 1.7) and calculated RMSDs of all other structures compared to this. When making a plot of the (assumed) score as function of RMSD I get cloud but no funnel!?
I hope you can help!