From: David van der Spoel <spoel@xray.bmc.uu.se>
Date: Thu, 7 Mar 2013 18:26:23 +0000 (+0100)
Subject: Fixes #1183 PBC bug in g_mindist
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=90abdcf9a41e447da7f4e66baba23caf3e10d461;p=alexxy%2Fgromacs.git

Fixes #1183 PBC bug in g_mindist

Fixes minimum size of the box if triclinic when checking
the periodic image distance.

Change-Id: I54cb593c42f791b6540147233c345069f84e2f33
---

diff --git a/src/tools/gmx_mindist.c b/src/tools/gmx_mindist.c
index f306294272..dc9ae1f74f 100644
--- a/src/tools/gmx_mindist.c
+++ b/src/tools/gmx_mindist.c
@@ -65,7 +65,7 @@ static void periodic_dist(matrix box,rvec x[],int n,atom_id index[],
   real sqr_box,r2min,r2max,r2;
   rvec shift[NSHIFT],d0,d;
 
-  sqr_box = sqr(min(box[XX][XX],min(box[YY][YY],box[ZZ][ZZ])));
+  sqr_box = sqr(min(norm(box[XX]),min(norm(box[YY]),norm(box[ZZ]))));
 
   s = 0;
   for(sz=-1; sz<=1; sz++)