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Made g_sgangle fatal error a bit more verbose.
author
Justin Lemkul
<jalemkul@vt.edu>
Wed, 16 Mar 2011 15:17:41 +0000
(11:17 -0400)
committer
Justin Lemkul
<jalemkul@vt.edu>
Wed, 16 Mar 2011 15:17:41 +0000
(11:17 -0400)
src/tools/gmx_sgangle.c
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diff --git
a/src/tools/gmx_sgangle.c
b/src/tools/gmx_sgangle.c
index fd214858614e9f6e7db66e597ee0b9c03326c1e4..47ab299246f03ee7bee30c53e30c7a2ee6a39c1e 100644
(file)
--- a/
src/tools/gmx_sgangle.c
+++ b/
src/tools/gmx_sgangle.c
@@
-124,7
+124,7
@@
static void calc_angle(int ePBC,matrix box,rvec x[], atom_id index1[],
svmul(0.5,h1,center1); /* center is geometric mean */
break;
default: /* group 1 does none of the above */
- gmx_fatal(FARGS,"Something wrong with contents of index file.\n");
+ gmx_fatal(FARGS,"Something wrong with contents of index file.
Groups should contain 2 or 3 atoms.
\n");
}
switch(gnx2)