Fixes issue with vsiten and verlet buffers.

[alexxy/gromacs.git] / src / kernel / calc_verletbuf.c

diff --git a/src/kernel/calc_verletbuf.c b/src/kernel/calc_verletbuf.c
index b685d37a5177c9c6461b550fdc3d089dd308397d..64a79f753020fe105f857c9d359f385153a00a60 100644 (file)
--- a/src/kernel/calc_verletbuf.c
+++ b/src/kernel/calc_verletbuf.c
@@ -268,6 +268,8 @@ 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.