Gromacs

Conjugate Gradient

    Table of contents
    1. 1. Reference

    The conjugate gradient minimization algorithm is a first-derivative method.  It adjusts the configuration of the system based on the energy gradient generated by the previous and current coordinates.  The implementation of this algorithm is discussed in the manual.

    Reference

    GROMACS manual, section 3.10.2

    Page last modified 01:16, 12 Oct 2009 by JLemkul?