Ignore:
Timestamp:
Oct 11, 2008, 4:07:45 PM (17 years ago)
Author:
Frederik Heber <heber@…>
Children:
45d5cc
Parents:
1e5e16
Message:

corrected number of valence orbitals for Calcium (2 -> 4) and inserted typical bond distance and angle (first taken from bpti, second guessed)

File:
1 edited

Legend:

Unmodified
Added
Removed

  • molecuilder/src/Hbondangle.db

    r1e5e16 r139f8c  
    447       180     110     106.67
    558       180     104.5   -1
    6 14      180     120     109.5
     614      180     120     109.47
    7715      180     -1      -1
    8816      180     -1      -1
    9917      180 -1 -1
     1020      180     120     109.47
    101134      180 -1 -1
    111235      180 -1 -1
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