Skip to content

Commit 90f7244

Browse files
author
Daniel R. Roe
committed
Revert Amber-MD#1159. Needs more testing
1 parent f109533 commit 90f7244

1 file changed

Lines changed: 1 addition & 1 deletion

File tree

src/Energy/Ene_Decomp_Nonbond.h

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -38,7 +38,7 @@ void Ene_Decomp_Nonbond(Frame const& fIn, Topology const& tIn, CharMask const& s
3838
T rij2 = (dx*dx) + (dy*dy) + (dz*dz);
3939
// VDW
4040
NonbondType const& LJ = tIn.GetLJparam(atom1, atom2);
41-
T e_vdw = Ene_LJ_12_6_4<T>( rij2, LJ.A(), LJ.B(), LJ.C() );
41+
T e_vdw = Ene_LJ_6_12<T>( rij2, LJ.A(), LJ.B() );
4242
# ifdef CPPTRAJ_DEBUG_ENEDECOMP
4343
mprintf("DEBUG: VDW %f\n", e_vdw);
4444
# endif

0 commit comments

Comments
 (0)