diff --git a/regtest/rt11/COLVAR.reference b/regtest/rt11/COLVAR.reference index 0de6c30631..d038a56db1 100644 --- a/regtest/rt11/COLVAR.reference +++ b/regtest/rt11/COLVAR.reference @@ -1,6 +1,6 @@ #! FIELDS time d1 vol md.bias 0.000000 1.163 127.933 0.000 - 0.050000 1.131 127.933 0.000 - 0.100000 1.098 127.933 0.000 - 0.150000 1.080 127.933 0.000 - 0.200000 1.087 127.933 0.000 + 0.050000 1.131 127.933 0.949 + 0.100000 1.098 127.933 1.719 + 0.150000 1.080 127.933 2.468 + 0.200000 1.087 127.933 3.435 diff --git a/regtest/rt11/HILLS.reference b/regtest/rt11/HILLS.reference index 298f96ebed..6d6dfc5cd9 100644 --- a/regtest/rt11/HILLS.reference +++ b/regtest/rt11/HILLS.reference @@ -1,7 +1,7 @@ #! FIELDS time d1 vol sigma_d1 sigma_vol height biasf #! SET multivariate false 0 1.162646040831079 127.932640011072 0.1 0.2 1.111111111111111 10 - 0.05 1.130546273059004 127.932640011072 0.1 0.2 1.111111111111111 10 - 0.1 1.097928292824707 127.932640011072 0.1 0.2 1.111111111111111 10 - 0.15 1.080244153391634 127.932640011072 0.1 0.2 1.111111111111111 10 - 0.2 1.086854650075657 127.932640011072 0.1 0.2 1.111111111111111 10 + 0.05 1.130546273059004 127.932640011072 0.1 0.2 1.065099172242622 10 + 0.1 1.097928292824707 127.932640011072 0.1 0.2 1.029189249157886 10 + 0.15 1.080244153391634 127.932640011072 0.1 0.2 0.9954423252507112 10 + 0.2 1.086854650075657 127.932640011072 0.1 0.2 0.9534672200896532 10 diff --git a/regtest/rt11/plumed.dat b/regtest/rt11/plumed.dat index e8da587e59..d6b219e747 100644 --- a/regtest/rt11/plumed.dat +++ b/regtest/rt11/plumed.dat @@ -1,7 +1,7 @@ d1: DISTANCE ATOMS=1,10 vol: VOLUME -METAD ARG=d1,vol SIGMA=0.1,0.2 HEIGHT=1.0 PACE=10 LABEL=md TEMP=300 GRID_MIN=0.0,120.0 GRID_MAX=1.0,130.0 BIASFACTOR=10 GRID_BIN=100,100 +METAD ARG=d1,vol SIGMA=0.1,0.2 HEIGHT=1.0 PACE=10 LABEL=md TEMP=300 GRID_MIN=0.0,120.0 GRID_MAX=2.0,130.0 BIASFACTOR=10 GRID_BIN=100,100 PRINT ... STRIDE=1