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ЕЕЕЕЕЕЕЕЕЕЕЕЕЕЕЕЕЕЕЕ
author
Max
<Infinity2573@gmail.com>
Sun, 25 Sep 2022 13:47:04 +0000
(16:47 +0300)
committer
Max
<Infinity2573@gmail.com>
Sun, 25 Sep 2022 13:47:04 +0000
(16:47 +0300)
Это говно начало работать!
src/dssptools.cpp
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diff --git
a/src/dssptools.cpp
b/src/dssptools.cpp
index 8d6328884be5aa842420cd20dcd8dd922d97b509..35a396283ac47443d0d4406271510b0b1f88723d 100644
(file)
--- a/
src/dssptools.cpp
+++ b/
src/dssptools.cpp
@@
-756,7
+756,7
@@
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(); // НЕ ТРОГАТЬ
+ return r.norm()
* gmx::c_nm2A
; // НЕ ТРОГАТЬ
}
void DsspTool::initAnalysis(/*const TrajectoryAnalysisSettings &settings,*/const TopologyInformation& top, const initParameters &initParamz)