Molecular dynamics input scripts.
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

31 to 40 of 45 Results
ConfigurationGenerator.py
Mar 8, 2023 - Molecular simulation scripts for bulk solutions
Python Source Code - 5.5 KB - MD5: f0a70e1a4e98a9ad9fed071cb414c8cd
Python script
ffbonded.itp
Mar 8, 2023 - Molecular simulation scripts for bulk solutions
application/vnd.shana.informed.formtemplate - 174 B - MD5: 4141eb1be04cd80d9b849423a91a408d
GROMACS ff file
ffnonbonded.itp
Mar 8, 2023 - Molecular simulation scripts for bulk solutions
application/vnd.shana.informed.formtemplate - 555 B - MD5: 508e85925c66246115c3cb1986196914
GROMACS ff file
forcefield.itp
Mar 8, 2023 - Molecular simulation scripts for bulk solutions
application/vnd.shana.informed.formtemplate - 191 B - MD5: 51b7fe40e0280e7819331f72eb62827a
GROMACS ff file
ions.itp
Mar 8, 2023 - Molecular simulation scripts for bulk solutions
application/vnd.shana.informed.formtemplate - 3.2 KB - MD5: b621038172fe12df7882a12faff22fd6
GROMACS ff file
molecules.rtp
Mar 8, 2023 - Molecular simulation scripts for bulk solutions
Unknown - 609 B - MD5: 565cd3c04b78c92a0feefa4cf23f3050
GROMACS ff file
npt.mdp
Mar 8, 2023 - Molecular simulation scripts for bulk solutions
Unknown - 2.5 KB - MD5: f9d130d9337bb9728b1b714956955232
GROMACS input file
nvt.mdp
Mar 8, 2023 - Molecular simulation scripts for bulk solutions
Unknown - 2.2 KB - MD5: 9e289235eb40f670134e066c250dcce1
GROMACS input file
prod.mdp
Mar 8, 2023 - Molecular simulation scripts for bulk solutions
Unknown - 2.5 KB - MD5: 47bc3512ee7f79f7eeb50778c5d8f27e
GROMACS input file
README.md
Mar 8, 2023 - Molecular simulation scripts for bulk solutions
Markdown Text - 702 B - MD5: 6911101bd9e28fcef1923165b6ffbba7
README file explaining the content of the dataset
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.