Skip to content

Commit 684b89a

Browse files
committed
Fix end-state flag at lambda=0.
1 parent 8de8e3d commit 684b89a

1 file changed

Lines changed: 1 addition & 1 deletion

File tree

src/ghostly/_ghostly.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -279,7 +279,7 @@ def modify(system, k_hard=100, k_soft=5, optimise_angles=True, num_optimise=10):
279279
)
280280

281281
# Remove any improper dihedrals connecting ghosts to the physical region.
282-
mol = _remove_impropers(mol, ghosts0, modifications, is_lambda1=True)
282+
mol = _remove_impropers(mol, ghosts0, modifications, is_lambda1=False)
283283

284284
# Now lambda = 1.
285285
for b in bridges1:

0 commit comments

Comments
 (0)