diff --git a/src/mapping/PCAVars.cpp b/src/mapping/PCAVars.cpp index d0a0ad7773e5723320c2369fda73754d386a3b57..5e6924684dee982b74cbd24858ed130a04b7c74b 100644 --- a/src/mapping/PCAVars.cpp +++ b/src/mapping/PCAVars.cpp @@ -354,7 +354,7 @@ void PCAVars::unlockRequests() { void PCAVars::calculate() { - if(!nopbc) makeWhole(); + if(!nopbc && getNumberOfAtoms()>0) makeWhole(); // Clear the reference value pack mypack.clear();