NMRLipids lipid_ionINTERACTION issues

NMRLipids / lipid_ionINTERACTION

Files related to the NMRlipids II project

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Statements on NBFIX & Scaled ions in SI (fig s6)

#62 hsantila opened 5 years ago
0
Update README.md

#61 jmelcr closed 6 years ago
0
Lipid 14 simulations with CaCl_2

#60 ohsOllila opened 7 years ago
2
Textual edits to ESI sections 1 and 2

#59 markussmiettinen closed 7 years ago
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Fixed Berger key in Fig S4: POPC/DMTAP -> DMPC/DMTAP

#58 markussmiettinen closed 7 years ago
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Suggestions for Conclusions

#57 markussmiettinen closed 7 years ago
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Suggestions for 2.3

#56 markussmiettinen closed 7 years ago
3
Suggestions for Section 2.2

#55 markussmiettinen closed 7 years ago
1
Suggestions for Section 2.1

#54 markussmiettinen closed 7 years ago
0
Final tunings of the Introduction.

#53 markussmiettinen closed 7 years ago
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Moving words around. Message remains.

#52 markussmiettinen closed 7 years ago
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Combined the simulation tables into one.

#51 markussmiettinen closed 7 years ago
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Using the right salt-free DPPC Slipid system...

#50 markussmiettinen closed 7 years ago
0
Listed the [NaCl]>1M Slipid DPPC trajectories I used for my analysis.

#49 markussmiettinen closed 7 years ago
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Simulation length in Slipids DPPC [NaCl]=850?

#48 markussmiettinen closed 7 years ago
3
Updates to the Simulations table

#47 markussmiettinen closed 7 years ago
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Recreated Fig 6 (CaCl2 distributions) and Moved the DPPC box in Fig 4 (NaCl distributions) and Updated Fig 3

#46 markussmiettinen closed 7 years ago
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Densities from new Yoo simulations needed

#45 markussmiettinen closed 7 years ago
2
Added NaCl ion density plot with carefully centered bilayers

#44 markussmiettinen closed 7 years ago
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Update LIPIDionINTERACTsuppl.tex

#43 ClaireLoison closed 8 years ago
0
Update LIPIDionINTERACT.tex

#42 ClaireLoison closed 8 years ago
0
new data with vdwForceSwitching ON (NAMD with CHARMM36-FF)

#41 ClaireLoison closed 8 years ago
0
Update LIPIDionINTERACT.tex

#40 jsmaatta closed 8 years ago
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Description of the bound cation charge calculation.

#39 markussmiettinen closed 8 years ago
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Small corrections to the text, new todo: add bound charge definition to ESI

#38 jmelcr closed 8 years ago
2
Text tuning.

#37 markussmiettinen closed 8 years ago
0
small text edits -- only MS

#36 jmelcr closed 8 years ago
1
Textual tuning of the Introduction

#35 markussmiettinen closed 8 years ago
1
Text edits to Molecular electrometer in experiments

#34 markussmiettinen closed 8 years ago
0
Corrections and updates to the main text, data on DPPC Slipids and Charmm36-noNBFIX

#33 jmelcr closed 8 years ago
11
Axis labels too close to ticks in Fig 3 (labelled AvsB)

#32 jmelcr closed 8 years ago
0
Update-Merging

#31 jmelcr closed 8 years ago
1
electrometer concept using cationic lipids (Figure 8 and appendix B)

#30 ohsOllila opened 8 years ago
1
details for simulation protocols + small suggestions in introduction/…

#29 ClaireLoison closed 8 years ago
8
TOC graphics is needed

#28 ohsOllila closed 7 years ago
21
Patch 1

#27 ClaireLoison closed 8 years ago
0
Additional data for DPPC Slipids and POPC Charmm36 without NBFIX

#26 jmelcr closed 8 years ago
7
Update refs.bib

#25 jsmaatta closed 8 years ago
0
Mapping file for ORANGE?

#24 markussmiettinen closed 7 years ago
1
Replacing 'electrometer concept' with 'molecular electrometer'.

#23 markussmiettinen closed 8 years ago
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'Electrometer concept' or 'Molecular electrometer'?

#22 markussmiettinen closed 8 years ago
2
Small text edits.

#21 markussmiettinen closed 8 years ago
0
Update LIPIDionINTERACT.tex

#20 mattijavanainen closed 8 years ago
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Added Slipids POPC+Dang description.

#19 mattijavanainen closed 8 years ago
0
067M CaCl2 CRM36 128POPC order and density; Sim. description and table

#18 MykhailoGirych closed 8 years ago
10
035M_1M_CaCl2_CRM36_POPC_density_profiles

#17 MykhailoGirych closed 8 years ago
0
Figure 2 (/Fig/OrderParameterIONSchanges.eps): The new CHARMM CaCl_2 results not in line with older ones.

#16 ohsOllila closed 8 years ago
1
035M CaCl2 CRM36 POPC order param

#15 MykhailoGirych closed 8 years ago
0
035M and 1M CaCl2 CRM36 POPC box sizes and order parameters

#14 MykhailoGirych closed 8 years ago
0
1M CaCl2 CRM36 POPC

#13 MykhailoGirych closed 8 years ago
1