Project ID: plumID:23.013
Name: Path meta-eABF simulation of large scale conformational change in STING protein
Category: methods
Keywords: meta-eABF, path CV, large scale conformational change, STING protein, reciprocal barrier restraint
PLUMED version: 2.8.1
Contributor: Istvan Kolossvary
Submitted on: 15 Mar 2023
Publication: I. B. Kolossvary, W. Sherman, Comprehensive Approach to Simulating Large Scale Conformational Changes in Biological Systems Utilizing a Path Collective Variable and New Barrier Restraint (2023)

PLUMED input files

File Compatible with
plumed.dat tested on v2.9 tested on master

Last tested: 28 Mar 2023, 07:01:43

Project description and instructions
To run this calculation you need OpenMM 7.6 or later. Start the simulation by ‘python’.

Submission history
[v1] 15 Mar 2023: original submission

Click on the image below and get the code to add the badge to your website!