PLUMED-NEST

Project ID: plumID:23.007
Name: Origins of Conformational Heterogeneity in Peptoid Helices formed by Chiral N-1-Phenylethyl Sidechains
Archive: https://zenodo.org/record/7683295/files/plumed-nest.zip
Category: bio
Keywords: metadynamics, peptoids, parallel-bias metadynamics
PLUMED version: 2.4.2
Contributor: Jim Pfaendtner
Submitted on: 27 Feb 2023
Publication: S. Alamdari, J. Pfaendtner, Origins of Conformational Heterogeneity in Peptoid Helices Formed by Chiral N-1-Phenylethyl Sidechains. The Journal of Physical Chemistry B. 127, 6163–6170 (2023)

PLUMED input files

File	Compatible with
plumed-nest/nrpe2/cn.dat
plumed-nest/nrpe2/cv.dat
plumed-nest/nrpe2/imp.dat
plumed-nest/nrpe2/plumed.dat
plumed-nest/nrpe3/cn.dat
plumed-nest/nrpe3/cv.dat
plumed-nest/nrpe3/imp.dat
plumed-nest/nrpe3/plumed.dat
plumed-nest/nrpe4/cn.dat
plumed-nest/nrpe4/cv.dat
plumed-nest/nrpe4/imp.dat
plumed-nest/nrpe4/plumed.dat
plumed-nest/nspe2/cn.dat
plumed-nest/nspe2/cv.dat
plumed-nest/nspe2/imp.dat
plumed-nest/nspe2/plumed.dat
plumed-nest/nspe3/cn.dat
plumed-nest/nspe3/cv.dat
plumed-nest/nspe3/imp.dat
plumed-nest/nspe3/plumed.dat

Last tested: 22 Apr 2024, 20:44:22

Project description and instructions
PLUMED files contain everything needed to reproduce parallel bias metadynamics on 2,3,4-mer helical peptoids.

Submission history
[v1] 27 Feb 2023: original submission

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