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sirajuddin

can any one provide me the gromacs command for obtaining dielectric constant of water ?

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    Feng Chen

    Hi Sirajuddin,

    The following two commands can be used to determine dielectric constant of a given solution:

    g_current calculates dielectric constants for charged systems g_dielectric calculates frequency dependent dielectric constants

    For detail usage information of commands please refer to the GROMACS manual.

    Best,

    Kevin Chen

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