Dear all, I am sorry for my new-comer question, but I am not clear what the multiple RFZ, TFZ, PAK and LLG scores belong to after each solution set in the phaser output (eg. .sol) file. My bet is that each of them corresponds to each of the solutions listed below, but I am not sure. Also I know that TFZ== represents the TFZ score based on the refined orientation, but why does it sometimes appear in the middle instead of at the end?
One example could look like this: SOLU SET *RFZ=5.4 TFZ=3.6 PAK=0 LLG=67* TFZ==1.8 *RFZ=2.2 TFZ=5.1 PAK=3 LLG=91* LLG=102 SOLU SPAC XXX SOLU 6DIM ENSE ensemble1 EULER X X X FRAC X X X BFAC X SOLU 6DIM ENSE ensemble1 EULER X X X FRAC X X X BFAC X SOLU ENSE ensemble1 VRMS X SOLU ENSE ensemble2 VRMS X SOLU SET* RFZ=4.2 TFZ=2.8 PAK=0 LLG=51* *RFZ=3.1 TFZ=5.1 PAK=1 LLG=71 LLG=86 *TFZ==5.3 SOLU SPAC XXX SOLU 6DIM ENSE ensemble1 EULER X X X FRAC X X X BFAC X SOLU 6DIM ENSE ensemble1 EULER X X X FRAC X X X BFAC X SOLU ENSE ensemble1 VRMS X SOLU ENSE ensemble2 VRMS X Thank you so much! Sincerely, Chen
