Bottom-up modeling of conducting porous materials via molecular simulation
Featured Dataverses

In order to use this feature you must have at least one published or linked dataverse.

Publish Dataverse

Are you sure you want to publish your dataverse? Once you do so it must remain published.

Publish Dataverse

This dataverse cannot be published because the dataverse it is in has not been published.

Delete Dataverse

Are you sure you want to delete your dataverse? You cannot undelete this dataverse.

Advanced Search

41 to 50 of 75 Results
forcefield.itp
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
application/vnd.shana.informed.formtemplate - 191 B - MD5: 51b7fe40e0280e7819331f72eb62827a
GROMACS ff file
ions.itp
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
application/vnd.shana.informed.formtemplate - 4.6 KB - MD5: 769b4b21474769ee34bed9ec56e78388
GROMACS ff file
molecules.rtp
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Unknown - 604 B - MD5: f3e13a2ce4a89e1509f6d5162cf3f7c0
GROMACS ff file
npt.mdp
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Unknown - 2.6 KB - MD5: 9522fdfe971916b170dc92b5da198f0c
GROMACS input file
nvt.mdp
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Unknown - 2.1 KB - MD5: 11a755f46961f1b4791b2b22c8acc888
GROMACS input file
Position.dat
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Fixed Field Text Data - 1017 B - MD5: 888996f06ac50eb12a056936c47a51b9
Position info SO4
Position.dat
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Fixed Field Text Data - 171 B - MD5: 41b7ea675ed69212ed7ce21e3c23a2fe
NaCl wall positions
prodHR.mdp
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Unknown - 2.2 KB - MD5: 1f6edd60d559b2df71b6e33af75f7c2f
GROMACS input file
prodLR.mdp
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Unknown - 2.2 KB - MD5: e58de02f3fb7306b2087c469605b4795
GROMACS input file
README.md
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Markdown Text - 702 B - MD5: 6911101bd9e28fcef1923165b6ffbba7
Add Data

Log in to create a dataverse or add a dataset.

Log In
Share Dataverse

Share this dataverse on your favorite social media networks.

Link Dataverse
Reset Modifications

Are you sure you want to reset the selected metadata fields? If you do this, any customizations (hidden, required, optional) you have done will no longer appear.