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diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index 9e93f669194c20ae7f54573f9ba8daab4c03b4dd..0dccb7d49288c3b7d390d57bd31dba88c632ce3c 100644 (file)
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -256,7 +256,7 @@ void secondaryStructures::analyzeTurnsAndHelicesPatterns(){
         std::cout << "Testing Helix_" << stride << std::endl;
         for(std::size_t j {0}; j + stride < SecondaryStructuresStatusMap.size(); ++j){
             std::cout << "Testing " << j << " and " << j + stride << std::endl;
-            if ( hasHBondBetween(j, j + stride) && NoChainBreaksBetween(j, j + stride) ){
+            if ( hasHBondBetween(j + stride, j) && NoChainBreaksBetween(j, j + stride) ){
                 std::cout << j << " and " << j + stride << " has hbond!" << std::endl;
                 SecondaryStructuresStatusMap[j + stride].setStatus(HelixPositions::End, i);
 
@@ -724,7 +724,6 @@ float DsspTool::CalculateAtomicDistances(const int &A, const int &B, const t_trx
 {
    gmx::RVec r{ 0, 0, 0 };
    pbc_dx(pbc, fr.x[A], fr.x[B], r.as_vec());
-   return r.norm();
    return r.norm() * gmx::c_nm2A;
 }
 
@@ -733,7 +732,6 @@ float DsspTool::CalculateAtomicDistances(const rvec &A, const int &B, const t_tr
 {
    gmx::RVec r{ 0, 0, 0 };
    pbc_dx(pbc, A, fr.x[B], r.as_vec());
-   return r.norm();
    return r.norm() * gmx::c_nm2A;
 }