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 tested on v2.7 tested on master
oncogenic/plumed-1.dat tested on v2.7 tested on master

Last tested: 12 May 2021, 09:56:07

Project description and instructions
Use command line ‘gmx mdrun -deffnm 800ns-metadynamics -v -plumed plumed-1.dat’ to start the metadynamics simulation

Submission history
[v1] 26 Oct 2020: original submission
[v2] 15 Jan 2021: updated doi

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plumeDnest:20.028