biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
Fix ICC warnings
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxana
/
gmx_sham.c
diff --git
a/src/gromacs/gmxana/gmx_sham.c
b/src/gromacs/gmxana/gmx_sham.c
index 863e820489311dce7ea8895d4dcc76ca563e3551..94430c03d99c08292de5282428e335bc8ab5c6f8 100644
(file)
--- a/
src/gromacs/gmxana/gmx_sham.c
+++ b/
src/gromacs/gmxana/gmx_sham.c
@@
-756,7
+756,7
@@
static void do_sham(const char *fn, const char *ndx,
index = index3(ibox, i, j, k);
if (P[index] > 0)
{
index = index3(ibox, i, j, k);
if (P[index] > 0)
{
- fprintf(fp, "%-6s%5
u
%-4.4s%3.3s %4d %8.3f%8.3f%8.3f%6.2f%6.2f\n",
+ fprintf(fp, "%-6s%5
d
%-4.4s%3.3s %4d %8.3f%8.3f%8.3f%6.2f%6.2f\n",
"ATOM", (index+1) %10000, "H", "H", (index+1)%10000,
xxx[XX], xxx[YY], xxx[ZZ], 1.0, W[index]);
}
"ATOM", (index+1) %10000, "H", "H", (index+1)%10000,
xxx[XX], xxx[YY], xxx[ZZ], 1.0, W[index]);
}