Molecular dynamics input scripts for GROMACS, and data analysis scripts in Python.
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

1 to 1 of 1 Result
Oct 11, 2023
Gravelle, Simon, 2023, "Molecular simulation scripts for slit nanopores with tunable hydrophilicity",, DaRUS, V1
GROMACS molecular simulation input files for slit nanopores filled with liquid water. Initial configuration can be generated using the Python script Use the bash script to run GROMACS. See the file.
Add Data

Log in to create a dataverse or add a dataset.

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.