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author
Max
<Infinity2573@gmail.com>
Sun, 25 Sep 2022 12:56:52 +0000
(15:56 +0300)
committer
Max
<Infinity2573@gmail.com>
Sun, 25 Sep 2022 12:56:52 +0000
(15:56 +0300)
src/dssptools.cpp
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diff --git
a/src/dssptools.cpp
b/src/dssptools.cpp
index 512459a0788c859b7340c167044083d1df521848..cb772dd8056aed0ed82760593ae4dfc9306da84f 100644
(file)
--- a/
src/dssptools.cpp
+++ b/
src/dssptools.cpp
@@
-751,7
+751,7
@@
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()
* gmx::c_nm2A
; // НЕ ТРОГАТЬ
+ return r.norm(); // НЕ ТРОГАТЬ
}
void DsspTool::initAnalysis(/*const TrajectoryAnalysisSettings &settings,*/const TopologyInformation& top, const initParameters &initParamz)