Fix LINCS bug from recent commit 211039fc

[alexxy/gromacs.git] / src / gromacs / mdlib / lincs.cpp

diff --git a/src/gromacs/mdlib/lincs.cpp b/src/gromacs/mdlib/lincs.cpp
index 760bc6a2121f124e2d6d1084ccb440d6bce4611e..44f1415c0778ea0c2315bedaddc1784723d8ff85 100644 (file)
--- a/src/gromacs/mdlib/lincs.cpp
+++ b/src/gromacs/mdlib/lincs.cpp
@@ -1955,7 +1955,7 @@ void set_lincs(const t_idef         &idef,
     li->atoms.resize(numEntries);
     li->blc.resize(numEntries);
     li->blc1.resize(numEntries);
-    li->blnr.resize(numEntries);
+    li->blnr.resize(numEntries + 1);
     li->bllen.resize(numEntries);
     li->tmpv.resizeWithPadding(numEntries);
     if (DOMAINDECOMP(cr))