From 0c54c5cb79056afda9af1b9ce0fdfcc62f07aa2d Mon Sep 17 00:00:00 2001
From: Davide Branduardi <davide.branduardi@gmail.com>
Date: Sun, 11 Aug 2013 10:10:43 +0200
Subject: [PATCH] corrects the previous bugged commit
---
src/core/SetupMolInfo.cpp | 3 +--
1 file changed, 1 insertion(+), 2 deletions(-)
diff --git a/src/core/SetupMolInfo.cpp b/src/core/SetupMolInfo.cpp
index 9136a095f..ea6be1c7c 100644
--- a/src/core/SetupMolInfo.cpp
+++ b/src/core/SetupMolInfo.cpp
@@ -74,8 +74,7 @@ pdb(*new(PDB))
std::string reference; parse("STRUCTURE",reference);
- if( ! pdb.read(reference,plumed.getAtoms().usingNaturalUnits(),0.1/plumed.getAtoms().getUnits().getLength()),
- error("missing input file " + reference ));
+ if( ! pdb.read(reference,plumed.getAtoms().usingNaturalUnits(),0.1/plumed.getAtoms().getUnits().getLength()))plumed_merror("missing input file " + reference );
std::vector<std::string> chains; pdb.getChainNames( chains );
log.printf(" pdb file named %s contains %d chains \n",reference.c_str(), chains.size() );
for(unsigned i=0;i<chains.size();++i){
--
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