Made gmxcheck -rmsd work again with forces

Change-Id: I776b282b17ee7c6cc4e56130dd804aa0ea04bce6

diff --git a/src/kernel/tpbcmp.c b/src/kernel/tpbcmp.c
index 4f5cff4ce6be2e40be0f13d00bc33ab41454c3e0..cba5484a80bbb64bfe24e318d4e6c3d0e28ef155 100644 (file)
--- a/src/kernel/tpbcmp.c
+++ b/src/kernel/tpbcmp.c
@@ -1076,7 +1076,14 @@ void comp_frame(FILE *fp, t_trxframe *fr1, t_trxframe *fr2,
     }
     if (cmp_bool(fp, "bF", -1, fr1->bF, fr2->bF))
     {
-        cmp_rvecs_rmstol(fp, "f", min(fr1->natoms, fr2->natoms), fr1->f, fr2->f, ftol, abstol);
+        if (bRMSD)
+        {
+            cmp_rvecs(fp, "f", min(fr1->natoms, fr2->natoms), fr1->f, fr2->f, bRMSD, ftol, abstol);
+        }
+        else
+        {
+            cmp_rvecs_rmstol(fp, "f", min(fr1->natoms, fr2->natoms), fr1->f, fr2->f, ftol, abstol);
+        }
     }
     if (cmp_bool(fp, "bBox", -1, fr1->bBox, fr2->bBox))
     {