Merge pull request #238 from openmopac/mozyme-mini-bugfix

Ignore single-character labels when printing H bonds
openmopac · Dec 10, 2024 · c05268b · c05268b
2 parents 00700ce + 03f0fa5
commit c05268b
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/corrections/H_bond_correction_bits.F90 b/src/corrections/H_bond_correction_bits.F90
@@ -356,7 +356,7 @@ subroutine prt_hbonds(D, H, A, energy)
     if (txtatm(D) == " ") write(txtatm(D),'(a,i5,3x,a)')"Atom No.:", D, elemnt(nat(D))
     if (txtatm(H) == " ") write(txtatm(H),'(a,i5,3x,a)')"Atom No.:", H, elemnt(nat(H))
     if (txtatm(A) == " ") write(txtatm(A),'(a,i5,3x,a)')"Atom No.:", A, elemnt(nat(A))
-    if (maxtxt == 0) then
+    if (maxtxt < 2) then
       write(H_txt(P_Hbonds),'(2x,a,f15.3,6x,a,12x,a,10x, f7.2,a)')trim(txtatm(D)), sum1,  &
       trim(txtatm(H)), trim(txtatm(A)), energy, " Kcal/mol"
     else