PS("sc-function", enumValueToString(fep->softcoreFunction));
PR("sc-gapsys-scale-linpoint-LJ", fep->scGapsysScaleLinpointLJ);
PR("sc-gapsys-scale-linpoint-Q", fep->scGapsysScaleLinpointQ);
- PR("sc-sigma-LJ-gapsys", fep->scSigmaLJGapsys);
+ PR("sc-gapsys-sigma-LJ", fep->scGapsysSigmaLJ);
};
static void pr_pull(FILE* fp, int indent, const pull_params_t& pull)
fep2->scGapsysScaleLinpointQ,
ftol,
abstol);
- cmp_real(fp, "inputrec->fepvals->scSigmaLJGapsys", -1, fep1->scSigmaLJGapsys, fep2->scSigmaLJGapsys, ftol, abstol);
+ cmp_real(fp, "inputrec->fepvals->scGapsysSigmaLJ", -1, fep1->scGapsysSigmaLJ, fep2->scGapsysSigmaLJ, ftol, abstol);
}
void cmp_inputrec(FILE* fp, const t_inputrec* ir1, const t_inputrec* ir2, real ftol, real abstol)