Project ID: plumID:19.040
Name: Optimal Metric for Path Collective Variables
Category: bio
Keywords: metadynamics, path collective variables, sgoop, alanine tripeptide, conformational changes, optimal path
PLUMED version: 2.3
Contributor: Francesco Luigi Gervasio
Submitted on: 07 May 2019
Publication: ml><body><h1>503 Service Unavailable</h1> No server is available to handle this request. </body></html

PLUMED input files

File Compatible with
metad_2d/plumed.dat tested on v2.6 tested on master
metad_3d/plumed.dat tested on v2.6 tested on master
metad_3d/plumed_full.dat tested on v2.6 tested on master
sgoop/plumed.dat tested on v2.6 tested on master

Last tested: 15 Oct 2019, 20:05:34

Project description and instructions
Run the provided tpr files with Gromacs (5.0.6 used previously) and plumed.dat files. In one case, the plumed_full.dat was used for post-processing (driving on the entire trajectory).

Submission history
[v1] 07 May 2019: original submission

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