Data for "Second Critical Point in Two Realistic Models of Water"
收藏资源简介:
Data associated to the publication "Second Critical Point in Two Realistic Models of Water" to appear in Science in 2020. e-rho-2005.tgz files with potential energy and density for the model TIP4P-2005 (N=300,500,1000) e-rho-tip4pice.tgz files with potential energy and density for the model TIP4P-Ice (N=300,500,1000) sk-dat.tgz files with the structure factor for TIP4P-2005 (N=36424) and TIP4P-Ice (N=10000) mdp-gro-top-2005.tgz input files for all studied state point in GROMACS format for TIP4P-2005 (mdp, gro, top) (N=300,500,1000) mdp-gro-top-Ice.tgz input files for all studied state point in GROMACS format for TIP4P-Ice (mdp, gro, top) (N=300,500,1000) large-systems.tgz input files for all studied state point in GROMACS format for TIP4P-Ice (N=10000) and TIP4P-2005 (N=36424)



