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Merge branch 'master' into pygromacs
[alexxy/gromacs.git]
/
src
/
gromacs
/
correlationfunctions
/
expfit.cpp
diff --git
a/src/gromacs/correlationfunctions/expfit.cpp
b/src/gromacs/correlationfunctions/expfit.cpp
index 0cc2c148ca0c4be282309d61af26e755e9966d8f..aa1404e1842ccfcc10296f2d4ac3e55afe59f96e 100644
(file)
--- a/
src/gromacs/correlationfunctions/expfit.cpp
+++ b/
src/gromacs/correlationfunctions/expfit.cpp
@@
-822,7
+822,7
@@
real do_lmfit(int ndata, real c1[], real sig[], real dt, real x0[],
}
for (j = 0; (j < nfitpnts); j++)
{
- real ttt = x0 ? x0[
i
] : dt*j;
+ real ttt = x0 ? x0[
j
] : dt*j;
fprintf(fp, "%10.5e %10.5e %10.5e\n",
x[j], y[j], lmcurves[eFitFn](ttt, fitparms));
}