Project ID: plumID:20.030
Name: Converging experimental and computational views of the knotting mechanism of the smallest knotted protein
Archive: https://zenodo.org/record/4196336/files/PLUMED_NEST_MJ0366.zip
Category: bio
Keywords: phi-values, transition state, knotted proteins
PLUMED version: 2.6
Contributor: Cristina Paissoni
Submitted on: 02 Nov 2020
Publication: C. Paissoni et al., Converging experimental and computational views of the knotting mechanism of a small knotted protein, Biophysical Journal (2021)

PLUMED input files

File Compatible with
plumed0.dat tested on v2.7 tested on master
plumed1.dat tested on v2.7 tested on master
plumed2.dat tested on v2.7 tested on master

Last tested: 12 May 2021, 09:55:47

Project description and instructions
this is a phi-value restrained annealing MD simulations using GROMACS + PLUMED. The restraint strength is increased gradually.

Submission history
[v1] 02 Nov 2020: original submission

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plumeDnest:20.030