Merge gromacs-4-6 into master

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / gen_vsite.c

diff --git a/src/gromacs/gmxpreprocess/gen_vsite.c b/src/gromacs/gmxpreprocess/gen_vsite.c
index 72d40360ba2319388726ec321ffa06a8e0d53ca3..f3fffdd685cd0c02d78710bd03c277d6cdebca02 100644 (file)
--- a/src/gromacs/gmxpreprocess/gen_vsite.c
+++ b/src/gromacs/gmxpreprocess/gen_vsite.c
@@ -1210,6 +1210,8 @@ static int gen_vsites_his(t_atoms *at, int *vsite_type[], t_params plist[],
   sinalpha=sqrt(1-cosalpha*cosalpha);
   x[atCG]  = - sinalpha*dCGCE1;
   y[atCG]  = 0;
+  x[atHE1] = x[atHE2] = x[atHD1] = x[atHD2] = 0;
+  y[atHE1] = y[atHE2] = y[atHD1] = y[atHD2] = 0;
   
   /* calculate ND1 and CD2 positions from CE1 and NE2 */