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annotate tools/rdock/data/scripts/minimise_solv.prm @ 5:a2f9c8a46a4b draft default tip

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planemo upload commit b9501ecca66b6a66c8cb87b945ad5f95181d7790-dirty
author marpiech
date Thu, 06 Oct 2016 07:09:26 -0400
parents 75f2b4087722
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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1 RBT_PARAMETER_FILE_V1.00
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2 TITLE Simplex minimisation (with SOLVATION)
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3
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4 SECTION SCORE
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5 INTER RbtSolvIdxSF.prm
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6 INTRA RbtIntraSF.prm
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7 SYSTEM RbtTargetSF.prm
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8 END_SECTION
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9
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10 SECTION SIMPLEX
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11 TRANSFORM RbtSimplexTransform
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12 MAX_CALLS 200
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13 NCYCLES 20
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14 STOPPING_STEP_LENGTH 10e-4
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15 PARTITION_DIST 8.0
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16 STEP_SIZE 1.0
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17 CONVERGENCE 0.001
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18 END_SECTION
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19
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20 SECTION FINAL
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21 TRANSFORM RbtNullTransform
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22 END_SECTION