diff --git a/modules/io/src/mol/pdb_writer.cc b/modules/io/src/mol/pdb_writer.cc index bdb445f6c5019e2abd07cc462eb8c80ad35585cd..1e4d46e0f18f3118383779303ab9c1780fa9778b 100644 --- a/modules/io/src/mol/pdb_writer.cc +++ b/modules/io/src/mol/pdb_writer.cc @@ -290,7 +290,12 @@ public: counter_++; line_(0, 6)=StringRef("TER ", 6); write_serial(counter_, line_); - line_(17, 3)=fmt::LPadded(res.GetKey()); + if(charmm_style_){ + line_(17, 4)=fmt::RPadded(res.GetKey()); + } + else{ + line_(17, 3)=fmt::LPadded(res.GetKey()); + } if (!res.GetChain().GetName().empty() && !charmm_style_) { line_[21]=res.GetChain().GetName()[0]; }