diff --git a/regtest/analysis/rt0/plumed.dat b/regtest/analysis/rt0/plumed.dat index e7911eceaebf9144adf44cccb3d30c3a4ffa8610..d2afc7353049197abf73d5803e0c88973a7713a6 100755 --- a/regtest/analysis/rt0/plumed.dat +++ b/regtest/analysis/rt0/plumed.dat @@ -27,5 +27,15 @@ HISTOGRAM ... RUN=1 ... HISTOGRAM +HISTOGRAM ... + ARG=x + USE_ALL_DATA + GRID_MIN=0.0 + GRID_MAX=3.0 + GRID_BIN=100 + BANDWIDTH=0.1 + GRID_WFILE=histoC +... HISTOGRAM + diff --git a/src/analysis/Analysis.cpp b/src/analysis/Analysis.cpp index 45483eadc847512ec597ca1e07b5e86c59d26fd9..5d1d835d4aa3dcc6580e722925390ae643d90e68 100644 --- a/src/analysis/Analysis.cpp +++ b/src/analysis/Analysis.cpp @@ -212,7 +212,7 @@ void Analysis::calculate(){ // Don't store the first step (also don't store if we are getting data from elsewhere) if( getStep()==0 || reusing_data ) return; // This is used when we have a full quota of data from the first run - if( idata==logweights.size() ) return; + if( !single_run && idata==logweights.size() ) return; // Retrieve the bias double bias=0.0; for(unsigned i=0;i<biases.size();++i) bias+=biases[i]->get();