diff --git a/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp b/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp index be3bd36608..9dd82ae253 100644 --- a/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp +++ b/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp @@ -240,8 +240,9 @@ void PairHbondDreidingLJOMP::eval(int iifrom, int iito, ThrData * const thr) pm.denom_vdw; switch2 = 12.0*rsq * (pm.cut_outersq-rsq) * (rsq-pm.cut_innersq) / pm.denom_vdw; - force_kernel = force_kernel*switch1 + eng_lj*switch2; - eng_lj *= switch1; + force_kernel = force_kernel*switch1 + eng_lj*switch2/rsq; + force_angle *= switch1; + eng_lj *= switch1; } if (EFLAG) { diff --git a/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp b/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp index 127a6cef10..9efb5d63d2 100644 --- a/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp +++ b/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp @@ -239,8 +239,9 @@ void PairHbondDreidingMorseOMP::eval(int iifrom, int iito, ThrData * const thr) pm.denom_vdw; switch2 = 12.0*rsq * (pm.cut_outersq-rsq) * (rsq-pm.cut_innersq) / pm.denom_vdw; - force_kernel = force_kernel*switch1 + eng_morse*switch2; - eng_morse *= switch1; + force_kernel = force_kernel*switch1 + eng_morse*switch2/rsq; + force_angle *= switch1; + eng_morse *= switch1; } if (EFLAG) {