Project ID: plumID:19.015
Name: Ibuprofen conformational dynamics and thermodynamics surface
Keywords: Ibuprofen, crystal, surface, solvents, conformers, metadynamics
PLUMED version: 2.3
Contributor: Matteo Salvalaglio
Submitted on: 23 Apr 2019
Publication: ml><body><h1>503 Service Unavailable</h1> No server is available to handle this request. </body></html
PLUMED input files
Last tested: 15 Oct 2019, 20:06:42
Project description and instructions
Input files for metadynamics simulations performed with GROMACS 5.1.4 patched with PLUMED 2.3.
[v1] 23 Apr 2019: original submission
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