{
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() * 10; // TODO * gmx::c_nm2A; if not PDB, i guess????
- return r.norm() * gmx::c_nm2A; // TODO * gmx::c_nm2A; if not PDB, i guess????
+ return r.norm() * gmx::c_nm2A * 10;
}
/* Calculate Distance From B to A, where A is only fake coordinates */
{
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() * 10; // TODO * gmx::c_nm2A; if not PDB, i guess????
- return r.norm() * gmx::c_nm2A; // TODO * gmx::c_nm2A; if not PDB, i guess????
+ return r.norm() * gmx::c_nm2A * 10;
}
void DsspTool::initAnalysis(/*const TrajectoryAnalysisSettings &settings,*/const TopologyInformation& top, const initParameters &initParamz)