From ab3fb25eeb074c282986fda0bf795eb5453f3fd2 Mon Sep 17 00:00:00 2001 From: Gabriel Studer <gabriel.studer@unibas.ch> Date: Fri, 20 Mar 2015 08:52:38 +0100 Subject: [PATCH] topology does not depend on entity anymore, the res_list has not to be reloaded (due to the previously applied copy to the entity) --- modules/mol/mm/src/topology_creator.cc | 3 --- 1 file changed, 3 deletions(-) diff --git a/modules/mol/mm/src/topology_creator.cc b/modules/mol/mm/src/topology_creator.cc index f2ede5a38..aa982f461 100644 --- a/modules/mol/mm/src/topology_creator.cc +++ b/modules/mol/mm/src/topology_creator.cc @@ -194,9 +194,6 @@ TopologyPtr TopologyCreator::Create(ost::mol::EntityHandle& ent, TopologyPtr top = TopologyPtr(new Topology(initial_masses)); - //note, that we have to get the residue list again, since there is a new entity handle - //created when initializing the topology - res_list = ent.GetResidueList(); ost::mol::AtomHandleList atom_list = ent.GetAtomList(); std::map<long,int> atom_indices; -- GitLab