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
Merge release-4-6 into master
[alexxy/gromacs.git]
/
src
/
gromacs
/
legacyheaders
/
gmx_math_x86_avx_256_double.h
diff --git
a/src/gromacs/legacyheaders/gmx_math_x86_avx_256_double.h
b/src/gromacs/legacyheaders/gmx_math_x86_avx_256_double.h
index f84e92ea0e803743bd1f9b5f68037d635b58bdb1..0796b9f3414217637fffe9136888592948b7480b 100644
(file)
--- a/
src/gromacs/legacyheaders/gmx_math_x86_avx_256_double.h
+++ b/
src/gromacs/legacyheaders/gmx_math_x86_avx_256_double.h
@@
-1740,7
+1740,7
@@
gmx_mm_pmecorrF_pd(__m128d z2)
* -----------
* r
*
- * 6.
Add the result to
1/r, multiply by the product of the charges,
+ * 6.
Subtract the result from
1/r, multiply by the product of the charges,
* and you have your potential.
*
*/