Replication Data for: 'A transferable molecular model for accurate thermodynamic studies of water in large-scale systems'

DOI

This repository contains
1) Source code to run CVF water simulations

2) Scripts to produce input files and run the simulations

3) The necessary data to reproduce the figures

Detailed information on the use of the code and analysis scripts are available in: https://github.com/lcoronas/FSBulkWater/

Identifier
DOI https://doi.org/10.34810/data1518
Related Identifier IsCitedBy https://doi.org/10.21203/rs.3.rs-4243098/v1
Metadata Access https://dataverse.csuc.cat/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.34810/data1518
Provenance
Creator Coronas, Luis E. ORCID logo; Vilanova, Oriol ORCID logo; Franzese, Giancarlo ORCID logo
Publisher CORA.Repositori de Dades de Recerca
Contributor Franzese, Giancarlo; Universitat de Barcelona
Publication Year 2024
Rights CC BY-NC-SA 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by-nc-sa/4.0
OpenAccess true
Contact Franzese, Giancarlo (Universitat de Barcelona)
Representation
Resource Type Simulation data; Dataset
Format text/x-c; application/x-sh; application/gzip; application/octet-stream; application/cu-seeme; text/x-fixed-field; text/plain
Size 12201; 108; 278576999; 602; 2207; 117794; 1354; 788; 71; 112; 68; 51; 209; 313; 53; 168; 311; 344; 67; 363; 496; 515; 326; 452; 405; 352; 253; 471; 126; 64; 48; 32; 190; 236; 402; 448; 317; 367; 267; 529; 245; 63; 89; 429; 426; 468; 460; 573; 568; 1734; 1817; 2025; 2141; 423; 424; 477; 462; 580; 565; 425; 415; 479; 461; 577; 567; 916; 888; 1089; 911; 1217; 1084; 416; 476; 585; 421; 464; 407; 420; 467; 583; 563; 1612; 1723; 1747; 1803; 1963; 1972; 752; 811; 927; 397; 534; 473; 592; 591; 695; 391; 478; 469; 713; 1599; 894; 1682; 1001; 1827; 1326; 1434; 1558; 1117; 1339; 1353; 1650; 1567; 1742; 1740; 1887; 744; 823; 746; 826; 922; 1313; 1435; 1542; 804; 867; 1770; 1008; 1905; 1209; 1333; 1440; 1227; 1746; 1368; 1845; 1526; 1994; 413; 472; 561; 388; 492; 595; 961; 1098; 1178; 1705; 910; 1824; 1051; 1957; 641; 715; 821; 412; 985; 1103; 680; 1737; 1085; 1854; 1120; 1976; 564; 709; 795; 2367; 2307; 845; 855; 1768; 1218; 2331; 1196; 814; 837; 710; 912; 1789; 2332; 1340; 2397; 736; 862; 1296; 1382; 702; 655; 2123; 1307; 614; 832; 581; 904; 536; 1312; 543; 1640; 1078; 997; 2223; 1118; 1327; 764; 279; 444; 2392; 2344; 829; 1820; 831; 2056; 2762; 2817; 379; 4585; 9480
Version 1.0
Discipline Basic Biological and Medical Research; Biology; Biophysics; Life Sciences; Natural Sciences; Physics