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Update to the most recent manuscript version #1

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058808d
Merge pull request #11 from ohsOllila/master
Jun 3, 2019
23cce0b
Updates made by Pavel
ohsOllila Jun 20, 2019
f1bbf44
Go back to previous manuscript version
ohsOllila Jun 20, 2019
46e2e2b
Updates made by Pavel
ohsOllila Jun 20, 2019
7b0e9f6
Merge pull request #17 from tfmFerreira/master
ohsOllila Jun 20, 2019
281e1c9
Merge pull request #12 from ohsOllila/master
Jun 21, 2019
b3eab37
Updated transparency in density plots to be more readable
Jul 9, 2019
16dca7d
changed transparency in purePOPS density plot to a bit higher value
Jul 9, 2019
4e6fe72
decreased transparency in density plot 5pc-1ps counterions
Jul 9, 2019
0f64823
Updated figure with number of lipids directly bound to ca2+
Jul 9, 2019
e1bb7b6
Improved order parameter plots with more consistent y-scales
Jul 9, 2019
62fbc0f
Improved stoichiometry and bound ca2+ population bar plots
Jul 9, 2019
8b3bbdf
Cleaning the pc-ps plots into one folder and commiting the tne update…
Jul 9, 2019
72c7942
Updated pc-ps plots
Jul 9, 2019
ecb3c2d
Turned Figure 1 "form-f, NMR OPs and POPS chem struct" into a panel w…
Jul 10, 2019
c3736d2
Updated Fig 3 "changes of OPs w.r.t. nacl and kcl"
Jul 10, 2019
45e2d70
Updated Fig 3 "changes of OPs e.r.t kcl, nacl ..." to include the che…
Jul 10, 2019
1f87abb
Updated Fig.4 "PC response to PS fraction and density plot"
Jul 10, 2019
248de96
Updated Fig. 6 " populations and stoichiometry of Ca2+ binding"
Jul 10, 2019
cd34997
Fixed Zenodo deposit reference and added reference to TO BE DEPOSITED…
Jul 10, 2019
5f757fd
Copied autor list from main text to SI
Jul 10, 2019
123bc78
Merge pull request #18 from jmelcr/manuscript
ohsOllila Jul 11, 2019
9203310
added panel-Fig with CaCl2 concentrations
Jul 11, 2019
df1e99d
Updated reference with nacl/kcl simulations to include also simulatio…
Jul 11, 2019
a6ff2b3
Updated title and fixes in bibliography,
Jul 11, 2019
332b736
Merge pull request #19 from jmelcr/manuscript
ohsOllila Jul 11, 2019
f3b03e3
Improvements in abstract
Jul 12, 2019
2eb10eb
Improvements and comments in Introduction
Jul 12, 2019
55d66d1
Improved MD Methods section
Jul 12, 2019
518be9b
Improvements in Simulation details
Jul 12, 2019
e436def
Improvements in section Results-monovalent ions
Jul 12, 2019
fa8c8c5
Improvements in the Ca2+ section in results
Jul 12, 2019
088e72b
Improvements in Conclusions
Jul 12, 2019
893f000
Fixes in bibliography and SI.
Jul 12, 2019
d4756f3
Merge pull request #20 from jmelcr/manuscript
ohsOllila Jul 14, 2019
82c6106
Updated plots after Samuli's comments (more clear symbols for a clear…
Aug 1, 2019
42ea3bf
Further improvement of the plots symbols
Aug 1, 2019
38fd567
Changed colour in plots PC-PS mixtures for EXP-KCl from grey to black…
Aug 1, 2019
c1716f4
Improved panels with plots to be clearer (symbols and legends) and nicer
Aug 1, 2019
8171218
Merge pull request #21 from jmelcr/manuscript
ohsOllila Aug 6, 2019
54d9625
Update text
ohsOllila Aug 6, 2019
c9c817e
Merge pull request #13 from ohsOllila/master
Aug 7, 2019
9867d71
Fixed Fig S4, corrected its counterpart in the main text (wrong colou…
Aug 13, 2019
98633d1
Merge branch 'manuscript' of https://github.com/jmelcr/ecc_lipids int…
Aug 13, 2019
6a21a4f
Changed width of some figures from 7 in to 16 cm (cca the size of the…
Aug 13, 2019
2d92f7e
Added PDF files of the manuscript and its Supplementary information
Aug 13, 2019
c2f8383
Merge pull request #22 from jmelcr/manuscript
ohsOllila Aug 13, 2019
3388d1f
Update to the version to be submitted
ohsOllila Aug 14, 2019
b5760b1
Merge pull request #14 from ohsOllila/master
Aug 14, 2019
96afb8f
Update based on reviewers' comments
ohsOllila Oct 1, 2019
d44c1ab
Merge pull request #15 from ohsOllila/master
Oct 1, 2019
361f033
Added new figure (Fig6) now also showing molecular structures of PC-P…
Oct 15, 2019
b753211
fixed typo in a file name of the new Fig6
Oct 16, 2019
6fe7855
Added example PC:PS:ca2+ structures into Fig6 (main) and FigS6 (SI)
Oct 16, 2019
b3decf1
Updated affiliation of JM
Oct 16, 2019
a76feaf
Improved first paragraph in sec. Methods according to Rev1 comments.
Oct 16, 2019
576f8ff
Update refs.bib
Oct 16, 2019
ffda6ab
Small edits in the manuscript ("only to carbonyls"), fixed reference,…
Oct 16, 2019
d8495a8
Merge pull request #23 from jmelcr/manuscript
ohsOllila Oct 18, 2019
adf1141
Merging text by Pavel to the methods
ohsOllila Oct 18, 2019
4ccfa10
Improvements in abstract
Oct 18, 2019
e36c4d8
small edits in Methods-ECC
Oct 18, 2019
7467369
Small edits in simulation details
Oct 18, 2019
7a8baa4
Edits in results section
Oct 18, 2019
e020cfa
edits in conclustions
Oct 18, 2019
ca62103
Improved formulation in conclusion and absract and making them consis…
Oct 18, 2019
0e2b427
Fix conflixt
ohsOllila Oct 19, 2019
eef6774
::Merge branch 'jmelcr-manuscript'
ohsOllila Oct 19, 2019
1bd412f
Update text
ohsOllila Oct 20, 2019
a3b2857
Update text
ohsOllila Oct 21, 2019
76b293f
Update text
ohsOllila Oct 21, 2019
8696cd0
Improved SI-figure with structures and fixed incorrect labels therein
Oct 28, 2019
1b63424
Updated SI
Oct 28, 2019
1e70cbc
Added TOC graphic
Oct 28, 2019
6892ef3
Updated manuscript PDFs including also TOC graphic
Oct 28, 2019
242accd
Fix conlict in pdfs
ohsOllila Oct 28, 2019
575390a
Merge branch 'jmelcr-manuscript'
ohsOllila Oct 28, 2019
9349045
Improved TOC graphic
Oct 30, 2019
057dce2
Fix to TOC graphic
Oct 30, 2019
1cc0148
Merge pull request #26 from jmelcr/manuscript
ohsOllila Oct 30, 2019
b5ecd89
Update text
ohsOllila Oct 31, 2019
13710fa
Merge branch 'master' of https://github.com/ohsOllila/ecc_lipids
ohsOllila Oct 31, 2019
4969a95
Update pdf
ohsOllila Oct 31, 2019
e14a25a
Update to the submitted revised version
ohsOllila Nov 6, 2019
6bd6a5a
Update to the final version
ohsOllila Nov 25, 2019
2e13efe
Fix typo
ohsOllila Dec 5, 2019
d97390b
Correct experimental POPC oleyl values
ohsOllila Aug 25, 2021
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649 changes: 649 additions & 0 deletions Data/POPS/MD_vs_Exp.eps
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16 changes: 16 additions & 0 deletions Data/POPS/OP_exp_oleoyl.dat
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Original file line number Diff line number Diff line change
@@ -0,0 +1,16 @@
2 0.12
3 0.20
4 0.20
5 0.22
6 0.20
7 0.17
8 0.12
9 0.12
10 0.00
11 0.07
12 0.12
14 0.12
15 0.10
16 0.10
17 0.07
18 0.00
15 changes: 15 additions & 0 deletions Data/POPS/OP_exp_palmitoyl.dat
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Original file line number Diff line number Diff line change
@@ -0,0 +1,15 @@
2.000000 0.220769
3.000000 0.196239
4.000000 0.220769
5.000000 0.220769
6.000000 0.220769
7.000000 0.220769
8.000000 0.220769
9.000000 0.196239
10.000000 0.171710
11.000000 0.171710
12.000000 0.147180
13.000000 0.122650
14.000000 0.098120
15.000000 0.073590
16.000000 0.000000
Binary file added Data/POPS/crowded_region.pdf
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