diff --git a/user-doc/tutorials/belfast-8.txt b/user-doc/tutorials/belfast-8.txt index e0c3a3f6517b794b583948db44571429e067b304..0cc38b78b1e9fd800b99a12a792383982a893933 100644 --- a/user-doc/tutorials/belfast-8.txt +++ b/user-doc/tutorials/belfast-8.txt @@ -8,7 +8,7 @@ the input files for BEMETA for a simple case of three alanines and we will use M the results of WT-BEMETA and STANDARD-BEMETA with four independent runs on the four Collective Variables. Finally we will use a simplified version of BEMETA that is Multiple Walkers Metadynamics. -\section belfast-1-lo Learning Outcomes +\section belfast-8-lo Learning Outcomes Once this tutorial is completed students will: @@ -65,7 +65,7 @@ In the following example, a bias-exchange simulation is performed on a Val-Ile-L Four replicas of the system are employed, each one biased on a different CV, thus four similar Plumed input files are prepared as follows: -- a common input file in which all the collective variables are define: +- a common input file in which all the collective variables are defined: \verbatim MOLINFO STRUCTURE=VIL.pdb @@ -78,9 +78,9 @@ cv4: TORSION ATOMS=@phi-3 \endverbatim NOTE: -1. By using \ref MOLINFO we can use shortcut to select atoms for dihedral angles (currently @phi, @psi, @omega and @chi1 are +1. By using \ref MOLINFO we can use shortcut to select atoms for dihedral angles (currently \@phi, \@psi, \@omega and \@chi1 are available). -2. We use cv# as label in order to make the output compatible with METAGUI. +2. We use cv# as labels in order to make the output compatible with METAGUI. 3. \ref RANDOM_EXCHANGES generates random exchanges list that are sent back to GROMACS. - four additional input files that \ref INCLUDE the common input and define the four \ref METAD along the four CVs, respectively. @@ -95,7 +95,6 @@ NOTE: 1. in COLVAR we \ref PRINT only the four collective variables, always in the same order in such a way that COLVARs are compatible with METAGUI 2. if you want to print additional information, like the \ref METAD bias it is possibile to use additional \ref PRINT keyword -3. Originally Bias-Exchange has been used without Well-Tempered Metadynamics but nothing prevents its use. \verbatim PRINT ARG=cv1,be.bias STRIDE=xxx FILE=BIAS