diff --git a/regtest/basic/rt80/COLVAR.reference b/regtest/basic/rt80/COLVAR.reference index a09ba66a3532454d8775840a42bb1f57276d1660..5c16b84f396842b1f281c5acc716788b9a62be8d 100644 --- a/regtest/basic/rt80/COLVAR.reference +++ b/regtest/basic/rt80/COLVAR.reference @@ -1,8 +1,8 @@ #! FIELDS time mu1 phi md.bias #! SET min_phi -pi #! SET max_phi pi - 0.000000 1.163 0.497 -0.000 - 0.050000 1.131 0.444 -0.000 - 0.100000 1.098 0.398 0.006 - 0.150000 1.080 0.351 0.000 - 0.200000 1.087 0.314 0.048 + 0.000000 1.163 0.497 0.000 + 0.050000 1.131 0.444 0.000 + 0.100000 1.098 0.398 0.480 + 0.150000 1.080 0.351 0.934 + 0.200000 1.087 0.314 1.403 diff --git a/src/bias/PBMetaD.cpp b/src/bias/PBMetaD.cpp index 449c5c158c919d0076ac9429bd94851b82194e7e..705e7415f4869ea836d5041b0de40014934429b2 100644 --- a/src/bias/PBMetaD.cpp +++ b/src/bias/PBMetaD.cpp @@ -677,7 +677,7 @@ void PBMetaD::calculate() } // set bias - ene = -kbt_ * (std::log(ene) - std::log(ncv)); + ene = -kbt_ * (std::log(ene) - std::log(ncv)) + bmin; getPntrToComponent("bias")->set(ene); }