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Implementing script to generate Bayly's preferred AM1-BCC charges #11

Merged
merged 5 commits into from
Feb 17, 2015
Merged

Implementing script to generate Bayly's preferred AM1-BCC charges #11

merged 5 commits into from
Feb 17, 2015

Commits on Oct 30, 2014

  1. Removed immutable PDF of v0.31 docs, since these have been moved to m… 

    …utable README.md.
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    jchodera committed Oct 30, 2014
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  2. Added script to extract only primary data from old database file.

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    jchodera committed Oct 30, 2014
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  3. Removed changelog_docs.txt, since it is redundant with README.md.

    @jchodera
    jchodera committed Oct 30, 2014
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  4. Added draft of script to regenerate Tripos mol2files.

    @jchodera
    jchodera committed Oct 30, 2014
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Commits on Oct 31, 2014

  1. Removed mol2files_sybyl/ and replaced them with newly generated tripo… 

    …s_mol2/ files.

mol2 files are titled using IUPAC names now.
    @jchodera
    jchodera committed Oct 31, 2014
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