Mercurial > repos > marpiech > norwich_tools_docking
annotate tools/rdock/data/scripts/minimise_solv.prm @ 3:b02d74d22d05 draft default tip
planemo upload
| author | marpiech |
|---|---|
| date | Mon, 29 Aug 2016 08:23:52 -0400 |
| parents | |
| children |
| rev | line source |
|---|---|
| 3 | 1 RBT_PARAMETER_FILE_V1.00 |
| 2 TITLE Simplex minimisation (with SOLVATION) | |
| 3 | |
| 4 SECTION SCORE | |
| 5 INTER RbtSolvIdxSF.prm | |
| 6 INTRA RbtIntraSF.prm | |
| 7 SYSTEM RbtTargetSF.prm | |
| 8 END_SECTION | |
| 9 | |
| 10 SECTION SIMPLEX | |
| 11 TRANSFORM RbtSimplexTransform | |
| 12 MAX_CALLS 200 | |
| 13 NCYCLES 20 | |
| 14 STOPPING_STEP_LENGTH 10e-4 | |
| 15 PARTITION_DIST 8.0 | |
| 16 STEP_SIZE 1.0 | |
| 17 CONVERGENCE 0.001 | |
| 18 END_SECTION | |
| 19 | |
| 20 SECTION FINAL | |
| 21 TRANSFORM RbtNullTransform | |
| 22 END_SECTION |