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Merge branch release-4-6 into release-5-0
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
calc_verletbuf.c
diff --git
a/src/gromacs/gmxpreprocess/calc_verletbuf.c
b/src/gromacs/gmxpreprocess/calc_verletbuf.c
index a96bd0679e12189f7deb961679b78280de87c349..dd3a36d8ebb5f7fa871e73c3703701079cd582ef 100644
(file)
--- a/
src/gromacs/gmxpreprocess/calc_verletbuf.c
+++ b/
src/gromacs/gmxpreprocess/calc_verletbuf.c
@@
-265,6
+265,8
@@
static void get_vsite_masses(const gmx_moltype_t *moltype,
inv_mass += coeff*coeff/m_aj;
}
vsite_m[a1] = 1/inv_mass;
+ /* Correct for loop increment of i */
+ i += j - 1 - NRAL(ft);
break;
default:
/* Use the mass of the lightest constructing atom.