Project ID: plumID:23.037
Name: Estimating binding free energy of solid binding peptides without extensive sampling
Category: bio
Keywords: metadynamics, solid binding peptides
PLUMED version: 2.6
Contributor: Xin Qi
Submitted on: 14 Sep 2023
Publication: unpublished

PLUMED input files

File Compatible with
SBP_plumed_nest/Plumed_files/GGTGG/plumed.dat tested on v2.9 tested on master
SBP_plumed_nest/Plumed_files/K8AK11A/plumed.dat tested on v2.9 tested on master

Last tested: 28 Feb 2024, 06:46:30

Project description and instructions
Initial configurations, run files for GROMACS and two complete examples of metadynamics are included.

Submission history
[v1] 14 Sep 2023: original submission

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