fix: H atom type error

dptech-corp · Jan 18, 2024 · 75c9064 · 75c9064
1 parent 2a4d4e1
commit 75c9064
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/unidock/src/lib/potentials.h b/unidock/src/lib/potentials.h
@@ -214,7 +214,7 @@ class vina_non_dir_h_bond : public Potential {
         if (r >= cutoff) return 0.0;
         if ((a.xs >= XS_TYPE_SIZE) || (b.xs >= XS_TYPE_SIZE)) return 0.0;
         if (xs_h_bond_possible(a.xs, b.xs)) {
-            if(a.xs  >= 32 && a.xs  <= 35) || (b.xs >= 32 && b.xs <= 35)  {
+            if((a.xs  >= 32 && a.xs  <= 35) || (b.xs >= 32 && b.xs <= 35))  {
                 return 10.0 * slope_step(bad, good, r - optimal_distance(a.xs, b.xs));
             } else
                 return slope_step(bad, good, r - optimal_distance(a.xs, b.xs));