From a0029c019d1c22b9f5512cbcce209b0f78a0fb20 Mon Sep 17 00:00:00 2001
From: Sebastian Ehlert <28669218+awvwgk@users.noreply.github.com>
Date: Tue, 8 Feb 2022 12:30:35 +0100
Subject: [PATCH] Correctly update chain number when changing to another chain

---
 src/mctc/io/write/pdb.f90 | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/mctc/io/write/pdb.f90 b/src/mctc/io/write/pdb.f90
index 2e6a74a9..76a9713f 100644
--- a/src/mctc/io/write/pdb.f90
+++ b/src/mctc/io/write/pdb.f90
@@ -56,6 +56,7 @@ subroutine write_pdb(mol, unit, number)
          else if (mol%pdb(iat)%chains /= last_chain) then
             write(unit, '("TER   ",i5,6x,a3,1x,a1,i4)') iat + offset, &
                &  mol%pdb(iat-1)%residue, last_chain, mol%pdb(iat)%residue_number
+            last_chain = mol%pdb(iat)%chains
             offset = offset+1
          endif