Mercurial > repos > marpiech > norwich_docking_tools

view 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
line wrap: on
line source

RBT_PARAMETER_FILE_V1.00
TITLE Simplex minimisation (with SOLVATION)

SECTION SCORE
	INTER	RbtSolvIdxSF.prm
	INTRA	RbtIntraSF.prm
	SYSTEM	RbtTargetSF.prm
END_SECTION

SECTION SIMPLEX
	TRANSFORM			RbtSimplexTransform
	MAX_CALLS			200
	NCYCLES				20
	STOPPING_STEP_LENGTH		10e-4
	PARTITION_DIST			8.0
        STEP_SIZE			1.0
	CONVERGENCE			0.001
END_SECTION

SECTION FINAL
	TRANSFORM			RbtNullTransform
END_SECTION