multicurve

Perform non-linear curve fitting for multiple input data sets.

multicurve set <dset> [set <dset> ...]<dset> { <equation> | name <dsname> nexp <m> [form {mexp|mexpk|mexpk_penalty} } [AX=<value> ...] [out <outfile>] [resultsout <results>] [maxit <max iterations>] [tol <tolerance>] [outxbins <NX> outxmin <xmin> outxmax <xmax>]

set <dset> [set <dset> ...] Data set(s) to fit.
<equation> Equation to fit of form <Variable> = <Equation>. See Data Set Math for more details on equations CPPTRAJ understands.
name <dsname> Name of output data sets (required if using nexp).
nexp <m> Fit to specified number of exponentials.
form <type> Fit to specified exponential form:
mexp Multi-exponential, SUM(m)[ An * exp(An+1 * X)]
mexpk Multi-exponential plus constant, A0 + SUM(m)[An * exp(An+1 * X)]
mexpk_penalty Same as mexpk except sum of prefactors constrained to 1.0 and exponential constants constrained to < 0.0.
AX=<value> Value of any constants in specified equation with X starting from 0 (can specify more than one).
out <outfile> Write resulting fit curve to <outfile>.
resultsout <results> Write details of the fit to <results> (default STDOUT).
maxit <max iterations> Number of iterations to run curve fitting algotrithm (default 50).
tol <tolerance> Curve-fitting tolerance (default 1E-4).
outxbins <NX> Number of points to use when generating final curve (default same number of points as input data set).
outxmin <xmin> Minimum X value to use for final curve (default same number of points as input data set).
outxmax <xmax> Maximum X value to use for final curve (default same number of points as input data set).

Fit each input data set <dset> to <equation>. See the curvefit command for more details.