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Commit 0c54c5cb authored by Davide Branduardi's avatar Davide Branduardi
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corrects the previous bugged commit

parent f6c2368a
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src/core/SetupMolInfo.cpp
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− 2
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...@@ -74,8 +74,7 @@ pdb(*new(PDB)) ...@@ -74,8 +74,7 @@ pdb(*new(PDB))
std::string reference; parse("STRUCTURE",reference); std::string reference; parse("STRUCTURE",reference);
if( ! pdb.read(reference,plumed.getAtoms().usingNaturalUnits(),0.1/plumed.getAtoms().getUnits().getLength()), if( ! pdb.read(reference,plumed.getAtoms().usingNaturalUnits(),0.1/plumed.getAtoms().getUnits().getLength()))plumed_merror("missing input file " + reference );
error("missing input file " + reference ));
std::vector<std::string> chains; pdb.getChainNames( chains ); std::vector<std::string> chains; pdb.getChainNames( chains );
log.printf(" pdb file named %s contains %d chains \n",reference.c_str(), chains.size() ); log.printf(" pdb file named %s contains %d chains \n",reference.c_str(), chains.size() );
for(unsigned i=0;i<chains.size();++i){ for(unsigned i=0;i<chains.size();++i){
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