norwich_docking_tools: tools/rdock/data/scripts/minimise

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

Uploaded

author	dzesikah
date	Fri, 26 Aug 2016 10:19:49 -0400
parents
children

rev	line source
2 0faa03a92843 Uploaded dzesikah parents: diff changeset	1 RBT_PARAMETER_FILE_V1.00
0faa03a92843 Uploaded dzesikah parents: diff changeset	2 TITLE Simplex minimisation (with SOLVATION)
0faa03a92843 Uploaded dzesikah parents: diff changeset	3
0faa03a92843 Uploaded dzesikah parents: diff changeset	4 SECTION SCORE
0faa03a92843 Uploaded dzesikah parents: diff changeset	5 INTER RbtSolvIdxSF.prm
0faa03a92843 Uploaded dzesikah parents: diff changeset	6 INTRA RbtIntraSF.prm
0faa03a92843 Uploaded dzesikah parents: diff changeset	7 SYSTEM RbtTargetSF.prm
0faa03a92843 Uploaded dzesikah parents: diff changeset	8 END_SECTION
0faa03a92843 Uploaded dzesikah parents: diff changeset	9
0faa03a92843 Uploaded dzesikah parents: diff changeset	10 SECTION SIMPLEX
0faa03a92843 Uploaded dzesikah parents: diff changeset	11 TRANSFORM RbtSimplexTransform
0faa03a92843 Uploaded dzesikah parents: diff changeset	12 MAX_CALLS 200
0faa03a92843 Uploaded dzesikah parents: diff changeset	13 NCYCLES 20
0faa03a92843 Uploaded dzesikah parents: diff changeset	14 STOPPING_STEP_LENGTH 10e-4
0faa03a92843 Uploaded dzesikah parents: diff changeset	15 PARTITION_DIST 8.0
0faa03a92843 Uploaded dzesikah parents: diff changeset	16 STEP_SIZE 1.0
0faa03a92843 Uploaded dzesikah parents: diff changeset	17 CONVERGENCE 0.001
0faa03a92843 Uploaded dzesikah parents: diff changeset	18 END_SECTION
0faa03a92843 Uploaded dzesikah parents: diff changeset	19
0faa03a92843 Uploaded dzesikah parents: diff changeset	20 SECTION FINAL
0faa03a92843 Uploaded dzesikah parents: diff changeset	21 TRANSFORM RbtNullTransform
0faa03a92843 Uploaded dzesikah parents: diff changeset	22 END_SECTION

Mercurial > repos > marpiech > norwich_docking_tools

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