diff --git a/src/colvar/CS2Backbone.cpp b/src/colvar/CS2Backbone.cpp index 385f516f6c667e9b03f9689518556c7df5a29830..9c433ef2a97fcb1fcb10361bb58060820a63c9b0 100644 --- a/src/colvar/CS2Backbone.cpp +++ b/src/colvar/CS2Backbone.cpp @@ -115,7 +115,7 @@ in NMR driven Metadynamics \cite Granata:2013dk: \verbatim whole: GROUP ATOMS=2612-2514:-1,961-1:-1,2466-962:-1,2513-2467:-1 WHOLEMOLECULES ENTITY0=whole -cs: CS2BACKBONE ATOMS=1-2612 NRES=176 DATA=../data/ TEMPLATE=template.pdb CAMSHIFT +cs: CS2BACKBONE ATOMS=1-2612 NRES=176 DATA=../data/ TEMPLATE=template.pdb CAMSHIFT NOPBC metad: METAD ARG=cs HEIGHT=0.5 SIGMA=0.1 PACE=200 BIASFACTOR=10 PRINT ARG=cs,metad.bias FILE=COLVAR STRIDE=100 \endverbatim