[gmx-users] xtc error?

[paloureiro at biof.ufrj.br]

Hi,

my simulation crashed with

"Program mdrun_33, VERSION 3.3
Source code file: stat.c, line: 283

Fatal error:
XTC error"

That line refers to:
"...
  if ((xx) && MASTER(cr)) {
    if (natoms == md->nr)
      x_sel = xx;
    else {
      /* We need to copy everything into a temp array */
      for(i=j=0; (i<md->nr); i++) {
        if (md->cXTC[i] == 0) {
          copy_rvec(xx[i],x_sel[j]);
          j++;
        }
      }
    }
    if (write_xtc(xd,natoms,step,t,box,x_sel,prec) == 0)
      gmx_fatal(FARGS,"XTC error");
..."

Does anyone have an idea about that?

Regards.

Pedro.

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