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Migrated tool version 0.93 from old tool shed archive to new tool shed repository
author marcel
date Tue, 07 Jun 2011 15:59:36 -0400
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e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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1 #
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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2 # MMFF94 paremeter files
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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3 #
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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4
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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5 # atom properties
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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6 prop mmffprop.par
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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7 # fallback defs
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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8 def mmffdef.par
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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9 # bond stretching parameters
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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10 bond mmffbond.par
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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11 # angle bending parameters
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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12 ang mmffang.par
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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13 # empirical rule parameters (bond stretching)
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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14 bndk mmffbndk.par
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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15 # charge parameters
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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16 chg mmffchg.par
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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17 # empirical rule parameters (bend-stretch)
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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18 dfsb mmffdfsb.par
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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19 # out-of-plane parameters
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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20 oop mmffs_oop.par
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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21 # partial bond charge increments
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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22 pbci mmffpbci.par
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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23 # strech-bend parameters
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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24 stbn mmffstbn.par
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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25 # torsion parameters
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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26 tor mmffs_tor.par
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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27 # van der waals parameters
e590e0f70b60 Migrated tool version 0.93 from old tool shed archive to new tool shed repository
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28 vdw mmffvdw.par