Mercurial > repos > marpiech > norwich_tools

annotate tools/rdock/data/scripts/minimise_solv.prm @ 0:bc03dbb6eb37 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
author marpiech
date Mon, 29 Aug 2016 03:38:13 -0400
parents
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
0
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
1 RBT_PARAMETER_FILE_V1.00
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
2 TITLE Simplex minimisation (with SOLVATION)
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
3
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
4 SECTION SCORE
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
5 INTER RbtSolvIdxSF.prm
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
6 INTRA RbtIntraSF.prm
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
7 SYSTEM RbtTargetSF.prm
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
8 END_SECTION
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
9
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
10 SECTION SIMPLEX
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
11 TRANSFORM RbtSimplexTransform
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
12 MAX_CALLS 200
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
13 NCYCLES 20
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
14 STOPPING_STEP_LENGTH 10e-4
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
15 PARTITION_DIST 8.0
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
16 STEP_SIZE 1.0
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
17 CONVERGENCE 0.001
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
18 END_SECTION
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
19
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
20 SECTION FINAL
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
21 TRANSFORM RbtNullTransform
bc03dbb6eb37 planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
marpiech
parents:
diff changeset
22 END_SECTION