double invNormalize;
gmx_bool normalizeAutocorrelation;
- static gmx_bool bVerbose = TRUE, bAbsolute = FALSE, bNormalizeDos = FALSE;
- static gmx_bool bRecip = FALSE;
- static real Temp = 298.15, toler = 1e-6;
+ static gmx_bool bVerbose = TRUE, bAbsolute = FALSE, bNormalizeDos = FALSE;
+ static gmx_bool bRecip = FALSE;
+ static real Temp = 298.15, toler = 1e-6;
+ int min_frames = 100;
t_pargs pa[] = {
{ "-v", FALSE, etBOOL, {&bVerbose},
close_trj(status);
+ if (nframes < min_frames)
+ {
+ gmx_fatal(FARGS, "You need at least %d frames in the trajectory and you only have %d.", min_frames, nframes);
+ }
dt = (t1-t0)/(nframes-1);
if (nV > 0)
{