Gromacs

residuetypes.dat

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    The residuetypes.dat file defines which groups are part of certain default index groups, such as "Protein," "DNA," "RNA," and others.  To add a new (custom) building block to the library, one must modify this file to reflect the class of the new building block.

    Page last modified 17:18, 15 Sep 2010 by JLemkul?