*/
#include "gmxpre.h"
-#include <math.h>
-#include <string.h>
+#include <cmath>
+#include <cstring>
+
+#include <algorithm>
#include "gromacs/commandline/pargs.h"
#include "gromacs/fileio/confio.h"
nmat[resi][j]++;
nmat[resj][i]++;
}
- mdmat[resi][resj] = min(r2, mdmat[resi][resj]);
+ mdmat[resi][resj] = std::min(r2, mdmat[resi][resj]);
}
}
mdmat[resi][resi] = 0;
for (resj = resi+1; (resj < nres); resj++)
{
- r = sqrt(mdmat[resi][resj]);
+ r = std::sqrt(mdmat[resi][resj]);
mdmat[resi][resj] = r;
mdmat[resj][resi] = r;
}
"The output can be processed with [gmx-xpm2ps] to make a PostScript (tm) plot."
};
static real truncate = 1.5;
- static gmx_bool bAtom = FALSE;
static int nlevels = 40;
t_pargs pa[] = {
{ "-t", FALSE, etREAL, {&truncate},
char *grpname;
int *rndx, *natm, prevres, newres;
- int i, j, nres, natoms, nframes, it, trxnat;
+ int i, j, nres, natoms, nframes, trxnat;
t_trxstatus *status;
- int nr0;
gmx_bool bCalcN, bFrames;
real t, ratio;
char title[256], label[234];