Mercurial > repos > marcel > caddsuite_mac10_6

annotate CADDSuite-1.1/data/OpenBabel/mmfftor.par @ 6:decca54699e3

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Uploaded Version 1.1
author marcel
date Thu, 12 Jan 2012 11:07:03 -0500
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6
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1 *
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2 * Copyright (c) Merck and Co., Inc., 1994
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3 * All Rights Reserved
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4 *
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5 * MMFF TORSION PARAMETERS- Rev: 26-OCT-94 Source: MMFF94
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6 * C94 - CORE MMFF94 parameter - from fits to conformational energies
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7 * X94 - EXTD MMFF94 parameter - also from fits to conformational E's
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8 * E94 - EXTD MMFF94 parameter - from empirical rule
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9 * #E94 - Adjusted from empirical rule value
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10 *
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11 * atom types V1 V2 V3 Source
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12 0 0 1 1 0 0.000 0.000 0.300 C94 0:*-1-1-* Def
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13 5 0 1 1 0 0.200 -0.800 1.500 C94 5:*-1-1-* Def
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