Published December 12, 2020
| Version v1
Dataset
Open
Input files and scripts for Hamiltonian replica-exchange molecular dynamics simulations of intrinsically disordered proteins using a software GROMACS patched with PLUMED
Description
Here we share the necessary files and scripts to run Hamiltonian replica-exchange molecular dynamics simulations of intrinsically disordered protein studied in the preprint uploaded to bioRxiv (doi: https://doi.org/10.1101/2020.06.16.155374). It requires software GROMACS patched with PLUMED.
Files
hremd-idp.zip
Files
(149.4 kB)
Name | Size | Download all |
---|---|---|
md5:b46af7dcf371052856ca1ac7ba25eb53
|
149.4 kB | Preview Download |