From e3e12caf9472fe74db12f2e15281417db81617e1 Mon Sep 17 00:00:00 2001 From: Niels Hansen Date: Mon, 20 Jan 2014 10:20:20 +0000 Subject: [PATCH] bug fix in pairlist --- gromosXX/VERSION | 2 +- .../nonbonded/pairlist/extended_grid_pairlist_algorithm.cc | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/gromosXX/VERSION b/gromosXX/VERSION index 6a0f5e1bb..85447d236 100644 --- a/gromosXX/VERSION +++ b/gromosXX/VERSION @@ -1,3 +1,3 @@ MD_MAJOR_VERSION=1 MD_MINOR_VERSION=2 -MD_MICRO_VERSION=3 +MD_MICRO_VERSION=4 diff --git a/gromosXX/src/interaction/nonbonded/pairlist/extended_grid_pairlist_algorithm.cc b/gromosXX/src/interaction/nonbonded/pairlist/extended_grid_pairlist_algorithm.cc index 3b28f3820..30439e7ec 100644 --- a/gromosXX/src/interaction/nonbonded/pairlist/extended_grid_pairlist_algorithm.cc +++ b/gromosXX/src/interaction/nonbonded/pairlist/extended_grid_pairlist_algorithm.cc @@ -989,9 +989,9 @@ void interaction::Extended_Grid_Pairlist_Algorithm::_update_perturbed // do only add the atoms to the pairlist if we are not doing // CUDA if (no_cuda) - pairlist.solvent_short[a1].push_back(a2); + pairlist.solvent_long[a1].push_back(a2); #else - pairlist.solvent_short[a1].push_back(a2); + pairlist.solvent_long[a1].push_back(a2); #endif DEBUG(10,"\t\t\tsolvent-solvent: add a2 to a1 solvent longrange pairlist"); }