From 4102316649cb8a10d5ba5380ab0a6c093fc3ea08 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Sat, 18 Apr 2015 19:36:37 +0200
Subject: [PATCH] set correct MMInteraction Type when generating LJ Pairs
---
modules/mol/mm/src/forcefield.cc | 5 +----
1 file changed, 1 insertion(+), 4 deletions(-)
diff --git a/modules/mol/mm/src/forcefield.cc b/modules/mol/mm/src/forcefield.cc
index b1e18b776..666de9417 100644
--- a/modules/mol/mm/src/forcefield.cc
+++ b/modules/mol/mm/src/forcefield.cc
@@ -657,10 +657,7 @@ MMInteractionPtr Forcefield::GetLJ(const String& type1,
temp1 = this->GetLJ(type1);
temp2 = this->GetLJ(type2);
if(temp1 && temp2){
- MMInteraction* interaction_ptr;
- if(pair) interaction_ptr = new MMInteraction(LJPair);
- else interaction_ptr = new MMInteraction(LJ);
- MMInteractionPtr return_ptr(interaction_ptr);
+ MMInteractionPtr return_ptr(new MMInteraction(LJPair));
std::vector<Real> param1, param2, param;
param1 = temp1->GetParam();
param2 = temp2->GetParam();
--
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