From 03f0fa53d357a3d7c89141963683196f3a1b9159 Mon Sep 17 00:00:00 2001 From: Jonathan Moussa Date: Tue, 10 Dec 2024 15:31:23 -0500 Subject: [PATCH] Ignore single-character labels when printing H bonds --- src/corrections/H_bond_correction_bits.F90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/corrections/H_bond_correction_bits.F90 b/src/corrections/H_bond_correction_bits.F90 index 46fbb9bc..d748a61d 100644 --- 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