cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.13877
title: POPC/Cholesterol @ 310K. 0, 10, 40, 50 and 60 mol-% cholesterol. Model by Maciejewski and Rog

description: Input parameter files and parts of the resulting trajectories for a POPC bilayer simulation with varying amounts of cholesterol. The systems contain 0, 10, 40, 50 or 60 mol-% cholesterol and a total of 128 lipids (POPC+cholesterol). The force field is an extension to the OPLS-based force field by the same authors [1]. All simulations are conducted by Waldemar Kulig and the simulations with 0, 10 and 40 mol-% cholesterol have earlier been discussed in [2].

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Files:

md_cholXX.tpr – XX mol-% cholesterol; run input file for Gromacs versions 4.6 and above. 

md_cholXX.xtc – The last 200 ns of a 400 ns long simulation (200 ns discarded from the beginning). XX mol-% cholesterol. Data saved every 100 ps.

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This data is used in the project "Matching lipid force fields with NMR data", see: http://nmrlipids.blogspot.fi and referred to in the blog as 'MacRog'

[1] Maciejewski, A., Pasenkiewicz-Gierula, M., Cramariuc, O., Vattulainen, I., and Rog, T. <strong>Refined OPLS All-Atom Force Field for Saturated Phosphatidylcholine Bilayers at Full Hydration.</strong> The Journal of Physical Chemistry B <strong>118</strong>, 4571–4581 (2014). DOI: 10.1021/jp5016627

[2] Kulig, W., Jurkiewicz, P., Olzynska, A., Tynkkynen, J., Javanainen, M., Manna, M., Rog, T., Hof, M., Vattulainen, I. and Jungwirth, P. <strong>Experimental determination and computational interpretation of biophysical properties of lipid bilayers enriched by cholesteryl hemisuccinate.</strong> Biochimica et Biophysica Acta (BBA) - Biomembranes <strong>1848</strong>, 422–432 (2015). DOI: 10.1016/j.bbamem.2014.10.032
DOI: 10.1594/wdcc/cmip5.cca4a2
title: CanAM4 model output prepared for CMIP5 amip4xCO2, served by ESGF

description: Project: IPCC Assessment Report 5 and Coupled Model Intercomparison Project data sets - These data belong to two projects:
1) to the Assessment Report No 5 of the International Panel on Climate Change (IPCC-AR5) and
2) to the Coupled Model Intercomparison Project No 5 (CMIP5).
CMIP5 is executed by the Program for Climate Model Diagnosis and Intercomparison (PCMDI) on behalf of the World Climate Research Programme (WCRP). Most of the data is replicated between the three data nodes at the World Data Centre for Climate (WDCC), the British Atmospheric Data Centre (BADC), and the PCMDI.
The project embraces the simulations with about 30 climate models of about 20 institutes worldwide.
Summary: 'amip4xco2' is an experiment of the CMIP5 - Coupled Model Intercomparison Project Phase 5
(http://cmip-pcmdi.llnl.gov/cmip5/). CMIP5 is meant to provide a framework for coordinated
climate change experiments for the next five years and thus includes simulations for
assessment in the AR5 as well as others that extend beyond the AR5.

6.5 amip4xco2 (6.5 4xCO2 AMIP) - Version 1: Identical to expt. 6.2b, but with AMIP SSTs prescribed as in expt. 3.3 (which is the control for this run).

Experiment design: http://cmip-pcmdi.llnl.gov/cmip5/docs/Taylor_CMIP5_design.pdf
List of output variables: http://cmip-pcmdi.llnl.gov/cmip5/docs/standard_output.pdf
Output: time series per variable in model grid spatial resolution in netCDF format
Earth System model and the simulation information: CIM repository

Entry name/title of data are specified according to the Data Reference Syntax
(http://cmip-pcmdi.llnl.gov/cmip5/docs/cmip5_data_reference_syntax.pdf)
as activity/product/institute/model/experiment/frequency/modeling realm/MIP table/ensemble
member/version number/variable name/CMOR filename.nc.
DOI: 10.1594/wdcc/cmip5.cca4a4
title: CanAM4 model output prepared for CMIP5 amip4K, served by ESGF

description: Project: IPCC Assessment Report 5 and Coupled Model Intercomparison Project data sets - These data belong to two projects:
1) to the Assessment Report No 5 of the International Panel on Climate Change (IPCC-AR5) and
2) to the Coupled Model Intercomparison Project No 5 (CMIP5).
CMIP5 is executed by the Program for Climate Model Diagnosis and Intercomparison (PCMDI) on behalf of the World Climate Research Programme (WCRP). Most of the data is replicated between the three data nodes at the World Data Centre for Climate (WDCC), the British Atmospheric Data Centre (BADC), and the PCMDI.
The project embraces the simulations with about 30 climate models of about 20 institutes worldwide.
Summary: 'amip4K' is an experiment of the CMIP5 - Coupled Model Intercomparison Project Phase 5 ( http://cmip-pcmdi.llnl.gov/cmip5/ ). CMIP5 is meant to provide a framework for coordinated climate change experiments for the next five years and thus includes simulations for assessment in the AR5 as well as others that extend beyond the AR5.

6.8 amip4K (6.8 AMIP plus 4K anomaly) - Version 1: Consistent with CFMIP requirements, add a uniform +4 K SST to the AMIP SSTs of expt. 3.3 (which is the "control" for this run).

Experiment design: http://cmip-pcmdi.llnl.gov/cmip5/docs/Taylor_CMIP5_design.pdf 
List of output variables: http://cmip-pcmdi.llnl.gov/cmip5/docs/standard_output.pdf 
Output: time series per variable in model grid spatial resolution in netCDF format
Earth System model and the simulation information: CIM repository

Entry name/title of data are specified according to the Data Reference Syntax ( http://cmip-pcmdi.llnl.gov/cmip5/docs/cmip5_data_reference_syntax.pdf ) as activity/product/institute/model/experiment/frequency/modeling realm/MIP table/ensemble member/version number/variable name/CMOR filename.nc .
DOI: 10.1594/wdcc/cmip5.cca4af
title: CanAM4 model output prepared for CMIP5 amipFuture, served by ESGF

description: Project: IPCC Assessment Report 5 and Coupled Model Intercomparison Project data sets - These data belong to two projects:
1) to the Assessment Report No 5 of the International Panel on Climate Change (IPCC-AR5) and
2) to the Coupled Model Intercomparison Project No 5 (CMIP5).
CMIP5 is executed by the Program for Climate Model Diagnosis and Intercomparison (PCMDI) on behalf of the World Climate Research Programme (WCRP). Most of the data is replicated between the three data nodes at the World Data Centre for Climate (WDCC), the British Atmospheric Data Centre (BADC), and the PCMDI.
The project embraces the simulations with about 30 climate models of about 20 institutes worldwide.
Summary: amipFuture is an experiment of the CMIP5 - Coupled Model Intercomparison Project Phase 5 ( http://cmip-pcmdi.llnl.gov/cmip5/ ). CMIP5 is meant to provide a framework for coordinated climate change experiments for the next five years and thus includes simulations for assessment in the AR5 as well as others that extend beyond the AR5.

amipFuture (6.6 AMIP plus patterned anomaly) - Version 2: Consistent with CFMIP requirements, add a patterned SST perturbation to the AMIP SSTs of expt. 3.3 (which is the 'control' for this run).

Experiment design: http://cmip-pcmdi.llnl.gov/cmip5/docs/Taylor_CMIP5_design.pdf 
List of output variables: http://cmip-pcmdi.llnl.gov/cmip5/docs/standard_output.pdf 
Output: time series per variable in model grid spatial resolution in netCDF format
Earth System model and the simulation information: CIM repository

Entry name/title of data are specified according to the Data Reference Syntax ( http://cmip-pcmdi.llnl.gov/cmip5/docs/cmip5_data_reference_syntax.pdf ) as activity/product/institute/model/experiment/frequency/modeling realm/MIP table/ensemble member/version number/variable name/CMOR filename.nc .
DOI: 10.1594/wdcc/cmip5.cca4am
title: CanAM4 model output prepared for CMIP5 amip, served by ESGF

description: Project: IPCC Assessment Report 5 and Coupled Model Intercomparison Project data sets - These data belong to two projects:
1) to the Assessment Report No 5 of the International Panel on Climate Change (IPCC-AR5) and
2) to the Coupled Model Intercomparison Project No 5 (CMIP5).
CMIP5 is executed by the Program for Climate Model Diagnosis and Intercomparison (PCMDI) on behalf of the World Climate Research Programme (WCRP). Most of the data is replicated between the three data nodes at the World Data Centre for Climate (WDCC), the British Atmospheric Data Centre (BADC), and the PCMDI.
The project embraces the simulations with about 30 climate models of about 20 institutes worldwide.
Summary: 'amip' is an experiment of the CMIP5 - Coupled Model Intercomparison Project Phase 5
(http://cmip-pcmdi.llnl.gov/cmip5/). CMIP5 is meant to provide a framework for coordinated
climate change experiments for the next five years and thus includes simulations for
assessment in the AR5 as well as others that extend beyond the AR5.

3.3 amip (3.3 AMIP) - Version 1: AMIP (1979 - at least 2008). Impose SSTs and sea ice from observations but with other conditions as in experiment 3.2 historical.

Experiment design: http://cmip-pcmdi.llnl.gov/cmip5/docs/Taylor_CMIP5_design.pdf
List of output variables: http://cmip-pcmdi.llnl.gov/cmip5/docs/standard_output.pdf
Output: time series per variable in model grid spatial resolution in netCDF format
Earth System model and the simulation information: CIM repository

Entry name/title of data are specified according to the Data Reference Syntax
(http://cmip-pcmdi.llnl.gov/cmip5/docs/cmip5_data_reference_syntax.pdf)
as activity/product/institute/model/experiment/frequency/modeling realm/MIP table/ensemble
member/version number/variable name/CMOR filename.nc.
DOI: 10.1594/wdcc/cmip5.cce2c2
title: CanESM2 model output prepared for CMIP5 abrupt4xCO2, served by ESGF

description: Project: IPCC Assessment Report 5 and Coupled Model Intercomparison Project data sets - These data belong to two projects:
1) to the Assessment Report No 5 of the International Panel on Climate Change (IPCC-AR5) and
2) to the Coupled Model Intercomparison Project No 5 (CMIP5).
CMIP5 is executed by the Program for Climate Model Diagnosis and Intercomparison (PCMDI) on behalf of the World Climate Research Programme (WCRP). Most of the data is replicated between the three data nodes at the World Data Centre for Climate (WDCC), the British Atmospheric Data Centre (BADC), and the PCMDI.
The project embraces the simulations with about 30 climate models of about 20 institutes worldwide.
Summary: 'abrupt4xco2' is an experiment of the CMIP5 - Coupled Model Intercomparison Project Phase 5
(http://cmip-pcmdi.llnl.gov/cmip5/). CMIP5 is meant to provide a framework for coordinated
climate change experiments for the next five years and thus includes simulations for
assessment in the AR5 as well as others that extend beyond the AR5.

6.3 abrupt4xco2 (6.3 Abrupt 4XCO2) - Version 1: Impose an instantaneous quadrupling of CO2, then hold fixed.

Experiment design: http://cmip-pcmdi.llnl.gov/cmip5/docs/Taylor_CMIP5_design.pdf
List of output variables: http://cmip-pcmdi.llnl.gov/cmip5/docs/standard_output.pdf
Output: time series per variable in model grid spatial resolution in netCDF format
Earth System model and the simulation information: CIM repository

Entry name/title of data are specified according to the Data Reference Syntax
(http://cmip-pcmdi.llnl.gov/cmip5/docs/cmip5_data_reference_syntax.pdf)
as activity/product/institute/model/experiment/frequency/modeling realm/MIP table/ensemble
member/version number/variable name/CMOR filename.nc.
DOI: 10.1594/wdcc/cmip5.cce2eh
title: CanESM2 model output prepared for CMIP5 esmHistorical, served by ESGF

description: Project: IPCC Assessment Report 5 and Coupled Model Intercomparison Project data sets - These data belong to two projects:
1) to the Assessment Report No 5 of the International Panel on Climate Change (IPCC-AR5) and
2) to the Coupled Model Intercomparison Project No 5 (CMIP5).
CMIP5 is executed by the Program for Climate Model Diagnosis and Intercomparison (PCMDI) on behalf of the World Climate Research Programme (WCRP). Most of the data is replicated between the three data nodes at the World Data Centre for Climate (WDCC), the British Atmospheric Data Centre (BADC), and the PCMDI.
The project embraces the simulations with about 30 climate models of about 20 institutes worldwide.
Summary: "esmHistorical" is an experiment of the CMIP5 - Coupled Model Intercomparison Project Phase 5
(http://cmip-pcmdi.llnl.gov/cmip5/). CMIP5 is meant to provide a framework for coordinated
climate change experiments for the next five years and thus includes simulations for
assessment in the AR5 as well as others that extend beyond the AR5.

5.2 esmHistorical (5.2 ESM historical): Historical simulation (1850 to 2005) as in experiment 3.2_historical  but emissions-forced (with atmospheric CO2 determined by the model itself)

Experiment design: http://cmip-pcmdi.llnl.gov/cmip5/docs/Taylor_CMIP5_design.pdf
List of output variables: http://cmip-pcmdi.llnl.gov/cmip5/docs/standard_output.pdf
Output: time series per variable in model grid spatial resolution in netCDF format
Earth System model and the simulation information: CIM repository

Entry name/title of data are specified according to the Data Reference Syntax
(http://cmip-pcmdi.llnl.gov/cmip5/docs/cmip5_data_reference_syntax.pdf)
as activity/product/institute/model/experiment/frequency/modeling realm/MIP table/ensemble
member/version number/variable name/CMOR filename.nc.
DOI: 10.1594/wdcc/cmip5.cce2hg
title: CanESM2 model output prepared for CMIP5 historicalGHG, served by ESGF

description: Project: IPCC Assessment Report 5 and Coupled Model Intercomparison Project data sets - These data belong to two projects:
1) to the Assessment Report No 5 of the International Panel on Climate Change (IPCC-AR5) and
2) to the Coupled Model Intercomparison Project No 5 (CMIP5).
CMIP5 is executed by the Program for Climate Model Diagnosis and Intercomparison (PCMDI) on behalf of the World Climate Research Programme (WCRP). Most of the data is replicated between the three data nodes at the World Data Centre for Climate (WDCC), the British Atmospheric Data Centre (BADC), and the PCMDI.
The project embraces the simulations with about 30 climate models of about 20 institutes worldwide.
Summary: 'historicalGHG' is an experiment of the CMIP5 - Coupled Model Intercomparison Project Phase 5
(http://cmip-pcmdi.llnl.gov/cmip5/). CMIP5 is meant to provide a framework for coordinated
climate change experiments for the next five years and thus includes simulations for
assessment in the AR5 as well as others that extend beyond the AR5.

7.2 historicalGHG (7.2 GHG-only historical) - Version 1: Historical simulation but with greenhouse gas forcing only.

Experiment design: http://cmip-pcmdi.llnl.gov/cmip5/docs/Taylor_CMIP5_design.pdf
List of output variables: http://cmip-pcmdi.llnl.gov/cmip5/docs/standard_output.pdf
Output: time series per variable in model grid spatial resolution in netCDF format
Earth System model and the simulation information: CIM repository

Entry name/title of data are specified according to the Data Reference Syntax
(http://cmip-pcmdi.llnl.gov/cmip5/docs/cmip5_data_reference_syntax.pdf)
as activity/product/institute/model/experiment/frequency/modeling realm/MIP table/ensemble
member/version number/variable name/CMOR filename.nc.
DOI: 10.1594/wdcc/cmip5.cce2hn
title: CanESM2 model output prepared for CMIP5 historicalNat, served by ESGF

description: Project: IPCC Assessment Report 5 and Coupled Model Intercomparison Project data sets - These data belong to two projects:
1) to the Assessment Report No 5 of the International Panel on Climate Change (IPCC-AR5) and
2) to the Coupled Model Intercomparison Project No 5 (CMIP5).
CMIP5 is executed by the Program for Climate Model Diagnosis and Intercomparison (PCMDI) on behalf of the World Climate Research Programme (WCRP). Most of the data is replicated between the three data nodes at the World Data Centre for Climate (WDCC), the British Atmospheric Data Centre (BADC), and the PCMDI.
The project embraces the simulations with about 30 climate models of about 20 institutes worldwide.
Summary: 'historicalNat' is an experiment of the CMIP5 - Coupled Model Intercomparison Project Phase 5
(http://cmip-pcmdi.llnl.gov/cmip5/). CMIP5 is meant to provide a framework for coordinated
climate change experiments for the next five years and thus includes simulations for
assessment in the AR5 as well as others that extend beyond the AR5.

7.1 historicalNat (7.1 natural-only historical simulation) - Version 1: Historical simulation but with natural forcing only.

Experiment design: http://cmip-pcmdi.llnl.gov/cmip5/docs/Taylor_CMIP5_design.pdf
List of output variables: http://cmip-pcmdi.llnl.gov/cmip5/docs/standard_output.pdf
Output: time series per variable in model grid spatial resolution in netCDF format
Earth System model and the simulation information: CIM repository

Entry name/title of data are specified according to the Data Reference Syntax
(http://cmip-pcmdi.llnl.gov/cmip5/docs/cmip5_data_reference_syntax.pdf)
as activity/product/institute/model/experiment/frequency/modeling realm/MIP table/ensemble
member/version number/variable name/CMOR filename.nc.
DOI: 10.1594/wdcc/cmip5.cce2r2
title: CanESM2 model output prepared for CMIP5 rcp26, served by ESGF

description: Project: IPCC Assessment Report 5 and Coupled Model Intercomparison Project data sets - These data belong to two projects:
1) to the Assessment Report No 5 of the International Panel on Climate Change (IPCC-AR5) and
2) to the Coupled Model Intercomparison Project No 5 (CMIP5).
CMIP5 is executed by the Program for Climate Model Diagnosis and Intercomparison (PCMDI) on behalf of the World Climate Research Programme (WCRP). Most of the data is replicated between the three data nodes at the World Data Centre for Climate (WDCC), the British Atmospheric Data Centre (BADC), and the PCMDI.
The project embraces the simulations with about 30 climate models of about 20 institutes worldwide.
Summary: rcp26 is an experiment of the CMIP5 - Coupled Model Intercomparison Project Phase 5 ( http://cmip-pcmdi.llnl.gov/cmip5/ ). CMIP5 is meant to provide a framework for coordinated climate change experiments for the next five years and thus includes simulations for assessment in the AR5 as well as others that extend beyond the AR5. 
 
4.3 rcp26 (4.3 RCP2.6) - Version 1: Future projection (2006-2100) forced by RCP2.6.  RCP2.6 is a representative concentration pathway which approximately results in a radiative  forcing of 2.6 W m-2 at year 2100, relative to pre-industrial conditions. 
 
Experiment design: http://cmip-pcmdi.llnl.gov/cmip5/docs/Taylor_CMIP5_design.pdf  
List of output variables: http://cmip-pcmdi.llnl.gov/cmip5/docs/standard_output.pdf  
Output: time series per variable in model grid spatial resolution in netCDF format 
Earth System model and the simulation information: CIM repository 
 
Entry name/title of data are specified according to the Data Reference Syntax ( http://cmip-pcmdi.llnl.gov/cmip5/docs/cmip5_data_reference_syntax.pdf ) as activity/product/institute/model/experiment/frequency/modeling realm/MIP table/ensemble member/version number/variable name/CMOR filename.nc .
DOI: 10.1594/wdcc/cmip5.cce2s2
title: CanESM2 model output prepared for CMIP5 sstClim4xCO2, served by ESGF

description: Project: IPCC Assessment Report 5 and Coupled Model Intercomparison Project data sets - These data belong to two projects:
1) to the Assessment Report No 5 of the International Panel on Climate Change (IPCC-AR5) and
2) to the Coupled Model Intercomparison Project No 5 (CMIP5).
CMIP5 is executed by the Program for Climate Model Diagnosis and Intercomparison (PCMDI) on behalf of the World Climate Research Programme (WCRP). Most of the data is replicated between the three data nodes at the World Data Centre for Climate (WDCC), the British Atmospheric Data Centre (BADC), and the PCMDI.
The project embraces the simulations with about 30 climate models of about 20 institutes worldwide.
Summary: 'sstClim4xco2' is an experiment of the CMIP5 - Coupled Model Intercomparison Project Phase 5
(http://cmip-pcmdi.llnl.gov/cmip5/). CMIP5 is meant to provide a framework for coordinated
climate change experiments for the next five years and thus includes simulations for
assessment in the AR5 as well as others that extend beyond the AR5.

6.2b sstClim4xco2 (6.2b SST Climatology With 4XCO2 Forcing) - Version 1: AMIP-style experiment with control run climatological SSTs and sea ice (as in 6.2a) but with quadrupled 4XCO2 imposed.

Experiment design: http://cmip-pcmdi.llnl.gov/cmip5/docs/Taylor_CMIP5_design.pdf
List of output variables: http://cmip-pcmdi.llnl.gov/cmip5/docs/standard_output.pdf
Output: time series per variable in model grid spatial resolution in netCDF format
Earth System model and the simulation information: CIM repository

Entry name/title of data are specified according to the Data Reference Syntax
(http://cmip-pcmdi.llnl.gov/cmip5/docs/cmip5_data_reference_syntax.pdf)
as activity/product/institute/model/experiment/frequency/modeling realm/MIP table/ensemble
member/version number/variable name/CMOR filename.nc.
DOI: 10.1594/wdcc/cmip5.cce2sc
title: CanESM2 model output prepared for CMIP5 sstClim, served by ESGF

description: Project: IPCC Assessment Report 5 and Coupled Model Intercomparison Project data sets - These data belong to two projects:
1) to the Assessment Report No 5 of the International Panel on Climate Change (IPCC-AR5) and
2) to the Coupled Model Intercomparison Project No 5 (CMIP5).
CMIP5 is executed by the Program for Climate Model Diagnosis and Intercomparison (PCMDI) on behalf of the World Climate Research Programme (WCRP). Most of the data is replicated between the three data nodes at the World Data Centre for Climate (WDCC), the British Atmospheric Data Centre (BADC), and the PCMDI.
The project embraces the simulations with about 30 climate models of about 20 institutes worldwide.
Summary: 'sstClim' is an experiment of the CMIP5 - Coupled Model Intercomparison Project Phase 5
(http://cmip-pcmdi.llnl.gov/cmip5/). CMIP5 is meant to provide a framework for coordinated
climate change experiments for the next five years and thus includes simulations for
assessment in the AR5 as well as others that extend beyond the AR5.

6.2a sstClim (6.2a Control SST Climatology) - Version 1: AMIP-style experiment with control run climatological SSTs and sea ice.

Experiment design: http://cmip-pcmdi.llnl.gov/cmip5/docs/Taylor_CMIP5_design.pdf
List of output variables: http://cmip-pcmdi.llnl.gov/cmip5/docs/standard_output.pdf
Output: time series per variable in model grid spatial resolution in netCDF format
Earth System model and the simulation information: CIM repository

Entry name/title of data are specified according to the Data Reference Syntax
(http://cmip-pcmdi.llnl.gov/cmip5/docs/cmip5_data_reference_syntax.pdf)
as activity/product/institute/model/experiment/frequency/modeling realm/MIP table/ensemble
member/version number/variable name/CMOR filename.nc.