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Commit f6c2368a authored by Davide Branduardi's avatar Davide Branduardi
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check if the file exists on molinfo

parent d987c3f5
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......@@ -72,7 +72,10 @@ pdb(*new(PDB))
}
if( read_backbone.size()==0 ){
std::string reference; parse("STRUCTURE",reference);
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()),
error("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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