diff --git a/regtest/adjmat/rt-dfg-wcsurf/plumed.dat b/regtest/adjmat/rt-dfg-wcsurf/plumed.dat index 0a49f34ea8079280bb1fefd64cad29d38d0e0d26..37f124bc53f8d4ba09271241e955fcacb06e7175 100644 --- a/regtest/adjmat/rt-dfg-wcsurf/plumed.dat +++ b/regtest/adjmat/rt-dfg-wcsurf/plumed.dat @@ -5,7 +5,7 @@ cf: MFILTER_MORE DATA=c1 SWITCH={RATIONAL D_0=2.0 R_0=0.1} LOWMEM # Build a contact matrix mat: CONTACT_MATRIX ATOMS=cf SWITCH={EXP D_0=4.0 R_0=0.5 D_MAX=6.0} # Find largest cluster -dfs: DFSCLUSTERING MATRIX=mat +dfs: DFSCLUSTERING MATRIX=mat LOWMEM clust1: CLUSTER_PROPERTIES CLUSTERS=dfs CLUSTER=1 nat: CLUSTER_NATOMS CLUSTERS=dfs CLUSTER=1