From: Berk Hess <hess@kth.se>
Date: Thu, 24 Jan 2019 21:27:47 +0000 (+0100)
Subject: Fix LINCS bug from recent commit 211039fc
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=db8ca51466334e64aef2863ac8bf6a441571de0c;p=alexxy%2Fgromacs.git

Fix LINCS bug from recent commit 211039fc

Change-Id: Ibdee49d48d609dd6a36f1941046efecb96e87d66
---

diff --git a/src/gromacs/mdlib/lincs.cpp b/src/gromacs/mdlib/lincs.cpp
index 760bc6a212..44f1415c07 100644
--- 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))