From 4a5216a177391462e1517cfbc80e5dca0df59380 Mon Sep 17 00:00:00 2001
From: Rafael Ravedutti <rafaelravedutti@gmail.com>
Date: Tue, 1 Feb 2022 00:46:12 +0100
Subject: [PATCH] Remove bb z-check on while loop when building neighbor lists

Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
---
 gromacs/neighbor.c | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/gromacs/neighbor.c b/gromacs/neighbor.c
index ad7455a..5a3f88d 100644
--- a/gromacs/neighbor.c
+++ b/gromacs/neighbor.c
@@ -247,7 +247,7 @@ void buildNeighbor(Atom *atom, Neighbor *neighbor) {
                         jbb_zmax = atom->clusters[cj].bbmaxz;
                     } while(m + 1 < c && (ibb_zmin - jbb_zmax) * (ibb_zmin - jbb_zmax) > cutneighsq);
 
-                    while(m < c && jbb_zmax - ibb_zmax < cutneighsq) {
+                    while(m < c) {
                         if((jbb_zmin - ibb_zmax) * (jbb_zmin - ibb_zmax) > cutneighsq) {
                             break;
                         }