Mercurial > repos > marpiech > norwich_docking_tools

comparison tools/rdock/data/scripts/minimise_solv.prm @ 2:0faa03a92843 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
Uploaded
author dzesikah
date Fri, 26 Aug 2016 10:19:49 -0400
parents
children
comparison
equal deleted inserted replaced
1:ad4bc82457e5 2:0faa03a92843
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