sdsadsdasd

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index b0c1af152a1a3597d99542e4b04ad1bcf6711b7f..5215f03f07a5b855c857b1586cdee3bec8a308c0 100644 (file)
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -708,7 +708,8 @@ 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(); // TODO * gmx::c_nm2A; if not PDB, i guess????
+//   return r.norm(); // TODO * gmx::c_nm2A; if not PDB, i guess????
+   return r.norm() * gmx::c_nm2A; // TODO * gmx::c_nm2A; if not PDB, i guess????
 }
 
 /* Calculate Distance From B to A, where A is only fake coordinates */
@@ -716,7 +717,8 @@ 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(); // TODO * gmx::c_nm2A; if not PDB, i guess????
+//   return r.norm(); // TODO * gmx::c_nm2A; if not PDB, i guess????
+   return r.norm() * gmx::c_nm2A; // TODO * gmx::c_nm2A; if not PDB, i guess????
 }
 
 void DsspTool::initAnalysis(/*const TrajectoryAnalysisSettings &settings,*/const TopologyInformation& top, const initParameters &initParamz)