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Description of JANPA orbitals is improved (distinction between LP and core)
[molby/Molby.git]
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Documents
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2011-07-21
toshinagata1964
Create New Atom menu command is being implemented ...
tree
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commitdiff
2011-07-21
toshinagata1964
Document is being updated (the property table section)
tree
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commitdiff
2011-07-21
toshinagata1964
Importing frcmod is improved. Import AMBER Lib (in...
tree
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commitdiff
2011-07-03
toshinagata1964
Ruby: Molecule#bond_par, angle_par, dihedral_par, impro...
tree
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commitdiff
2011-07-02
toshinagata1964
Gaff and parm99 parameters: the equilibrium bond length...
tree
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commitdiff
2011-04-26
toshinagata1964
Importing GaussianW fch(k) files were not working becau...
tree
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commitdiff
2010-05-12
toshinagata1964
Calculation of vdw/elect forces was wrong when the...
tree
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commitdiff
2010-05-07
toshinagata1964
The MM/MD re-initialization after modification of coord...
tree
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commitdiff
2010-05-06
toshinagata1964
Version 0.5.4
tree
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commitdiff
2010-04-25
toshinagata1964
Mac: the text field in the list control remained on...
tree
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commitdiff
2010-03-20
toshinagata1964
Version 0.5.2
tree
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commitdiff
2010-03-20
toshinagata1964
Reference for the Ruby extension is written
tree
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commitdiff
2010-02-18
toshinagata1964
Cleaning up the rdoc comments.
tree
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commitdiff
2010-02-06
toshinagata1964
Documents: Molecular Mechanics section is written.
tree
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commitdiff
2010-01-31
toshinagata1964
AmberTools-1.3 (part) is bundled.
tree
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commitdiff
2010-01-21
toshinagata1964
initial import
tree
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commitdiff