Merge release-5-0 into release-5-1

[alexxy/gromacs.git] / src / gromacs / mdlib / perf_est.c

diff --git a/src/gromacs/mdlib/perf_est.c b/src/gromacs/mdlib/perf_est.c
index bdb8c28267bbcb09b2c1d67e9a63df1dd14f35a7..0951875dd3475965f04d473e4ae9362045d896f4 100644 (file)
--- a/src/gromacs/mdlib/perf_est.c
+++ b/src/gromacs/mdlib/perf_est.c
@@ -178,6 +178,7 @@ static void pp_group_load(gmx_mtop_t *mtop, t_inputrec *ir, matrix box,
     nq                = 0;
     nlj               = 0;
     *bChargePerturbed = FALSE;
+    *bTypePerturbed   = FALSE;
     for (mb = 0; mb < mtop->nmolblock; mb++)
     {
         molt = &mtop->moltype[mtop->molblock[mb].type];
@@ -292,6 +293,7 @@ static void pp_verlet_load(gmx_mtop_t *mtop, t_inputrec *ir, matrix box,
     nqlj              = 0;
     nq                = 0;
     *bChargePerturbed = FALSE;
+    *bTypePerturbed   = FALSE;
     for (mb = 0; mb < mtop->nmolblock; mb++)
     {
         molt = &mtop->moltype[mtop->molblock[mb].type];