[gmx-developers] g_energy -dp option not working?

[Michael Shirts]

I'm looking at the code for gromacs 3.1.4, and there's some strange code
for -dp option.  The code for print_one looks like:

void print_one(FILE *fp,bool bDp,real e)
{
  if (bDp)
    fprintf(fp,"  %16f",e);
  else
    fprintf(fp,"  %10f",e);

}

Which just adds extra spaces, not extra precision.

I changed it in my personal copy to:

  if (bDp)
    fprintf(fp,"  %16.12f",e);
  else
    fprintf(fp,"  %10.6f",e);

Cheers,
Michael Shirts
Pande Group
Stanford University