typedef struct {
unsigned long mode;
- int nrestart, nout, P, fitfn, nskip;
+ int nrestart, nout, P, fitfn;
gmx_bool bFour, bNormalize;
real tbeginfit, tendfit;
} t_acf;
real dt, unsigned long mode, int nrestart,
gmx_bool bAver, gmx_bool bNormalize,
gmx_bool bVerbose, real tbeginfit, real tendfit,
- int eFitFn, int nskip)
+ int eFitFn)
{
FILE *fp, *gp = NULL;
int i, k, nfour;
"Order of Legendre polynomial for ACF (0 indicates none)" },
{ "-fitfn", FALSE, etENUM, {s_ffn},
"Fit function" },
- { "-ncskip", FALSE, etINT, {&acf.nskip},
- "Skip this many points in the output file of correlation functions" },
{ "-beginfit", FALSE, etREAL, {&acf.tbeginfit},
"Time where to begin the exponential fit of the correlation function" },
{ "-endfit", FALSE, etREAL, {&acf.tendfit},
low_do_autocorr(fn, oenv, title, nframes, nitem, acf.nout, c1, dt, mode,
acf.nrestart, bAver, acf.bNormalize,
bDebugMode(), acf.tbeginfit, acf.tendfit,
- acf.fitfn, acf.nskip);
+ acf.fitfn);
}
int get_acfnout(void)