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view CADDSuite-1.5/data/OpenBabel/mmffdfsb.par @ 16:1a24aef40d01 draft

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author marcel
date Tue, 24 Jul 2012 11:10:07 -0400
parents ac342506cd4e
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*
*                Copyright (c) Merck and Co., Inc., 1994
*                         All Rights Reserved
*
* MMFF Default Stretch-Bend Parameters
*      Row in 
*  Periodic Table         
*   IR   JR   KR   F(I_J,K)  F(K_J,I)
    0    1    0      0.15      0.15
    0    1    1      0.10      0.30
    0    1    2      0.05      0.35
    0    1    3      0.05      0.35
    0    1    4      0.05      0.35
    0    2    0      0.00      0.00
    0    2    1      0.00      0.15
    0    2    2      0.00      0.15
    0    2    3      0.00      0.15
    0    2    4      0.00      0.15
    1    1    1      0.30      0.30
    1    1    2      0.30      0.50
    1    1    3      0.30      0.50
    1    1    4      0.30      0.50
    2    1    2      0.50      0.50
    2    1    3      0.50      0.50
    2    1    4      0.50      0.50
    3    1    3      0.50      0.50
    3    1    4      0.50      0.50
    4    1    4      0.50      0.50
    1    2    1      0.30      0.30
    1    2    2      0.25      0.25
    1    2    3      0.25      0.25
    1    2    4      0.25      0.25
    2    2    2      0.25      0.25
    2    2    3      0.25      0.25
    2    2    4      0.25      0.25
    3    2    3      0.25      0.25
    3    2    4      0.25      0.25
    4    2    4      0.25      0.25
$