Modar internal command:


 fourierPath

To setup a multi-reaction coordinates path using Fourier serials for Lambda Dynamics.

  • Syntax
    fourierpath <ndim=?> <argument>  [more arguments]

  • Examples

    #two dims fourierpath alanine dipeptide

    fourierpath ndim=2 \

                rc=”dihe1” \

                rc=”dihe2” \

                pathfile=”a2b.txt” \

                astate=”…” \

                bstate=”…” \

                kforce=100.0 \

                nbead=32


  • Variables exported
    none

 

 

 

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