Project ID: plumID:20.028
Name: Well-tempered metadynamics on wt/onc KRas-4B, binding on the anionic membrane
Archive: https://github.com/HuixiaLu/well-tempered-metadynamics-on-wt.-onc.-KRas-4B-binding-on-the-anionic-membrane/archive/master.zip (browse)
Category: bio
Keywords: metadynamics, KRas-4B, anionic membrane
PLUMED version: 2.5
Contributor: Huixia Lu
Submitted on: 26 Oct 2020
Last revised: 15 Jan 2021
Publication: H. Lu, J. Martí, Long-lasting Salt Bridges Provide the Anchoring Mechanism of Oncogenic Kirsten Rat Sarcoma Proteins at Cell Membranes. The Journal of Physical Chemistry Letters. 11, 9938–9945 (2020)
PLUMED input files
| File | Compatible with |
|---|---|
| wild-type/plumed-1.dat |   |
| oncogenic/plumed-1.dat | |
Last tested: 22 Apr 2025, 10:15:53
Project description and instructions
Use command line ‘gmx mdrun -deffnm 800ns-metadynamics -v -plumed plumed-1.dat’ to start the metadynamics simulation
Click here to open manual pages for actions used in this project.
Submission history
[v1] 26 Oct 2020: original submission
[v2] 15 Jan 2021: updated doi
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