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- fixed a bug with sel_[1 and 2]
[alexxy/gromacs-colorvec.git]
/
src
/
colorvec.cpp
2020-10-21
Anatoly
- fixed a bug with sel_[1 and 2]
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- fixed a bug with not full traj frame
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- debaug
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- debug -nan
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- removed OpenMP
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- fixed ate to app
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- fixed a bug with rewriting data
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- output debug
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- clean-up
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- fixed infinite pairSearch restart
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- ref instead of test
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- fixed atom names for colors
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- +0 instead of -1
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- resind starts from 0
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- aminoacidsIndexation[@ - 1]
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- long long is important
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- fixed possible infinite loop
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- "\n" to std::endl
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- added some debug text output
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- added a fix to input params
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- troubleshooting input params
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- fixed issues that popped up after clean-up, mostly...
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- fixed an issue with peptide being only of CA
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- first implementation of angle search utility
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