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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