diff --git a/src/compute_temp_profile.cpp b/src/compute_temp_profile.cpp index 828c5c67a2..4cc9a3e896 100644 --- a/src/compute_temp_profile.cpp +++ b/src/compute_temp_profile.cpp @@ -197,7 +197,10 @@ void ComputeTempProfile::dof_compute() adjust_dof_fix(); natoms_temp = group->count(igroup); dof = domain->dimension * natoms_temp; - dof -= extra_dof + fix_dof; + + // subtract additional d*Nbins DOF, as in Evans and Morriss paper + + dof -= extra_dof + fix_dof + domain->dimension*nbins; if (dof > 0) tfactor = force->mvv2e / (dof * force->boltz); else tfactor = 0.0; }