Fix incorrect grid cell size in g_sas -nopbc
authorTeemu Murtola <teemu.murtola@gmail.com>
Fri, 28 Feb 2014 04:33:59 +0000 (06:33 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Sun, 2 Mar 2014 01:49:56 +0000 (02:49 +0100)
Fixes #1445

Change-Id: I798fc8fe96608633f26d9a3500f83f39b44af008

src/tools/nsc.c

index 80d810389e2bbdf254dc8c80bf147dfcd25e6614..bd6895a7b5101a8143ccf35da49c9f27c1dc3e1f 100644 (file)
@@ -781,7 +781,6 @@ int nsc_dclm_pbc(rvec *coords, real *radius, int nat,
         xmin   = coords[iat][XX]; xmax = xmin; xs = xmin;
         ymin   = coords[iat][YY]; ymax = ymin; ys = ymin;
         zmin   = coords[iat][ZZ]; zmax = zmin; zs = zmin;
-        ra2max = radius[iat];
 
         for (iat_xx = 1; (iat_xx < nat); iat_xx++)
         {