X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Ftrajectoryanalysis%2Frunnercommon.cpp;h=3543018b925b7f763698820b7c2f8fe9786924e7;hb=14cef496793d46312fff5d313d84c1516e821dbb;hp=4483a2949d913e5a3712018764ed60be31b3c851;hpb=86f86f19d985cd5516b5f8bd5d3dab4760d4b573;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/trajectoryanalysis/runnercommon.cpp b/src/gromacs/trajectoryanalysis/runnercommon.cpp index 4483a2949d..3543018b92 100644 --- a/src/gromacs/trajectoryanalysis/runnercommon.cpp +++ b/src/gromacs/trajectoryanalysis/runnercommon.cpp @@ -293,16 +293,9 @@ TrajectoryAnalysisRunnerCommon::doneIndexGroups(SelectionCollection *selections) } } - void TrajectoryAnalysisRunnerCommon::initTopology(SelectionCollection *selections) { - // Return immediately if the topology has already been loaded. - if (impl_->topInfo_.hasTopology()) - { - return; - } - const TrajectoryAnalysisSettings &settings = impl_->settings_; const bool bRequireTop = settings.hasFlag(TrajectoryAnalysisSettings::efRequireTop) @@ -313,7 +306,7 @@ TrajectoryAnalysisRunnerCommon::initTopology(SelectionCollection *selections) } // Load the topology if requested. - if (!impl_->topfile_.empty()) + if (!impl_->topfile_.empty() && !impl_->topInfo_.hasTopology()) { char title[STRLEN];