- extra needed params

[alexxy/gromacs-rcore.git] / src / rcore.cpp

diff --git a/src/rcore.cpp b/src/rcore.cpp
index 7bfe49e97656f3ddbc6a04326f453069aecbd87b..140923af404863f08cc91475620d60161daf2391 100644 (file)
--- a/src/rcore.cpp
+++ b/src/rcore.cpp
@@ -98,6 +98,9 @@ AnalysisTemplate::initOptions(IOptionsContainer          *options,
     options->addOption(DoubleOption("-prt")
                         .store(&prt)
                         .description("blob particion"));
+    settings->setFlags(TrajectoryAnalysisSettings::efNoUserPBC);
+    settings->setFlag(TrajectoryAnalysisSettings::efUseTopX);
+    settings->setPBC(true);
 }
 
 void