diff --git a/src/colvar/ContactMap.cpp b/src/colvar/ContactMap.cpp index 64b4a0d62d204c728f1ab34f93270ba256a3bb8c..cf6226c96ce2c1cfb34e427fc5a756b06779004d 100644 --- a/src/colvar/ContactMap.cpp +++ b/src/colvar/ContactMap.cpp @@ -86,17 +86,16 @@ WEIGHT is the 1/(number of contacts) giving equal weight to each contact. When using native contact Q switch function, please cite \cite best2013 \plumedfile -# Full example available in regtest/basic/rt72/ +# The full (much-longer) example available in regtest/basic/rt72/ CONTACTMAP ... ATOMS1=1,67 SWITCH1={Q R_0=0.01 BETA=50.0 LAMBDA=1.5 REF=0.4059} WEIGHT1=0.003597 ATOMS2=1,68 SWITCH2={Q R_0=0.01 BETA=50.0 LAMBDA=1.5 REF=0.4039} WEIGHT2=0.003597 ATOMS3=1,69 SWITCH3={Q R_0=0.01 BETA=50.0 LAMBDA=1.5 REF=0.3215} WEIGHT3=0.003597 -[snip] -ATOMS275=183,213 SWITCH275={Q R_0=0.01 BETA=50.0 LAMBDA=1.5 REF=0.355} WEIGHT275=0.003597 -ATOMS276=183,234 SWITCH276={Q R_0=0.01 BETA=50.0 LAMBDA=1.5 REF=0.428} WEIGHT276=0.003597 -ATOMS277=183,250 SWITCH277={Q R_0=0.01 BETA=50.0 LAMBDA=1.5 REF=0.3832} WEIGHT277=0.003597 -ATOMS278=197,220 SWITCH278={Q R_0=0.01 BETA=50.0 LAMBDA=1.5 REF=0.3827} WEIGHT278=0.003597 +ATOMS4=5,61 SWITCH4={Q R_0=0.01 BETA=50.0 LAMBDA=1.5 REF=0.4277} WEIGHT4=0.003597 +ATOMS5=5,67 SWITCH5={Q R_0=0.01 BETA=50.0 LAMBDA=1.5 REF=0.3851} WEIGHT5=0.003597 +ATOMS6=5,68 SWITCH6={Q R_0=0.01 BETA=50.0 LAMBDA=1.5 REF=0.3811} WEIGHT6=0.003597 +ATOMS7=5,69 SWITCH7={Q R_0=0.01 BETA=50.0 LAMBDA=1.5 REF=0.3133} WEIGHT7=0.003597 LABEL=cmap SUM ... CONTACTMAP