diff --git a/user-doc/tutorials/a-trieste-4.txt b/user-doc/tutorials/a-trieste-4.txt index 68a11799ca7826bb79363d4b90f19bd4a3c33fb7..5f7abb5def0f162715f2b20ad96ce62b707af5bb 100644 --- a/user-doc/tutorials/a-trieste-4.txt +++ b/user-doc/tutorials/a-trieste-4.txt @@ -133,9 +133,10 @@ psi: TORSION ATOMS=__FILL__ # Activate well-tempered metadynamics in phi metad: __FILL__ ARG=__FILL__ ... -# Deposit a Gaussian every 500 time steps, with initial height equal -# to 1.2 kJoule/mol, biasfactor equal to 10.0 -PACE=500 HEIGHT=1.2 BIASFACTOR=10.0 +# Deposit a Gaussian every 500 time steps, with initial height equal to 1.2 kJoule/mol +PACE=500 HEIGHT=1.2 +# the bias factor should be wisely chosen +BIASFACTOR=__FILL__ # Gaussian width (sigma) should be chosen based on CV fluctuation in unbiased run SIGMA=__FILL__ # Gaussians will be written to file and also stored on grid @@ -335,7 +336,7 @@ psi: TORSION ATOMS=__FILL__ # Activate well-tempered metadynamics in phi metad: __FILL__ ARG=__FILL__ ... # Set the deposition stride to a large number -PACE=10000000 HEIGHT=1.2 BIASFACTOR=10.0 +PACE=10000000 HEIGHT=1.2 BIASFACTOR=__FILL__ # Gaussian width (sigma) should be chosen based on CV fluctuation in unbiased run SIGMA=__FILL__ # Gaussians will be read from file and stored on grid