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view tools/rdock/data/scripts/minimise_solv.prm @ 3:279ba0732f87 draft default tip

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planemo upload
author marpiech
date Mon, 29 Aug 2016 09:07:58 -0400
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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