CA only and multiple selections both work

diff --git a/src/spacetimecorr.cpp b/src/spacetimecorr.cpp
index f9f94365db99195826e5998ef0800a20e42ec2de..28fc3001acb5c3e8fc24ef994a232b660b77e299 100644 (file)
--- a/src/spacetimecorr.cpp
+++ b/src/spacetimecorr.cpp
@@ -269,7 +269,7 @@ Domains::initAfterFirstFrame(const TrajectoryAnalysisSettings       &settings,
     }
     domains.resize(sel_.size());
     for (int i = 0; i < sel_.size(); i++) {
-        if (sel_.size() != 1) {
+        if (sel_.size() != 1 && i == 0) {
             continue;
         }
         atomind  = sel_[i].atomIndices();
@@ -332,6 +332,8 @@ Domains::initAfterFirstFrame(const TrajectoryAnalysisSettings       &settings,
     frames++;
 }
 
+// -s '/home/toluk/Develop/samples/reca_rd/reca_rd.mono.xtc' -f '/home/toluk/Develop/samples/reca_rd/reca_rd.mono.xtc' -n '/home/toluk/Develop/samples/reca_rd/test6.ndx' -sf '/home/toluk/Develop/samples/reca_rd/SelectionList5'  -tau 5 -crl 0.10
+
 void
 Domains::analyzeFrame(int frnr, const t_trxframe &fr, t_pbc *pbc,
                       TrajectoryAnalysisModuleData *pdata)