if (opt2bSet("-so", NFILE, fnm) || bTUNE)
{
ir.ewald_rtol = info.ewald_rtol[0];
- write_tpx_state(opt2fn("-so", NFILE, fnm), &ir, &state, &mtop);
+ write_tpx_state(opt2fn("-so", NFILE, fnm), &ir, &state, mtop);
}
please_cite(fp, "Wang2010");
fclose(fp);